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57-13-6 molecular structure
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urea

ChemBase ID: 3541
Molecular Formular: CH4N2O
Molecular Mass: 60.05526
Monoisotopic Mass: 60.03236276
SMILES and InChIs

SMILES:
NC(=O)N
Canonical SMILES:
NC(=O)N
InChI:
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey:
XSQUKJJJFZCRTK-UHFFFAOYSA-N

Cite this record

CBID:3541 http://www.chembase.cn/molecule-3541.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
urea
IUPAC Traditional name
urea
Synonyms
Urea
Carbonyldiamide
UREA REAGENT GRADE
Urea solution
Urea, ACS
carbonyl diamide
diaminomethanae
diaminomethanone
Urea
Isourea
Carbonyldiamine
Ureophil
Urevert
UREA ULTRA PURE
Ureum
Urea solution
Carbamide
尿素 溶液
尿素, ACS
碳酰二胺
碳酰胺
尿素
尿素 溶液
CAS Number
57-13-6
EC Number
200-315-5
231-791-2
MDL Number
MFCD00008022
Beilstein Number
635724
Merck Index
149867
PubChem SID
24900645
24873573
46508687
24873568
24900435
24900650
160966980
24873571
24873567
24900617
24900656
24859899
24900649
24873763
24900652
24900664
24900624
PubChem CID
1176
CHEBI ID
16199
ATC CODE
B05BC02
D02AE01
CHEMBL
985
Chemspider ID
1143
DrugBank ID
DB03904
KEGG ID
D00023
Unique Ingredient Identifier
8W8T17847W
Wikipedia Title
Urea

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 15.731965  H Acceptors
H Donor LogD (pH = 5.5) -1.3638339 
LogD (pH = 7.4) -1.3638339  Log P -1.3638339 
Molar Refractivity 13.1426 cm3 Polarizability 5.02445 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.78  LOG S 0.84 
Solubility (Water) 4.12e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
107.9 g/100 ml (20 °C)
167 g/100ml (40 °C)
251 g/100 ml (60 °C)
400 g/100 ml (80 °C) in water
expand Show data source
50g/L ethanol, 500g/L glycerol expand Show data source
H2O: soluble5 M at 20 °C, clear, colorless expand Show data source
H2O: soluble8 M expand Show data source
H2O: soluble8 M at 20 °C, clear, colorless expand Show data source
Soluble in water, alcohol, methanol, glycerol, benzene, and conc. HCl. Practically insoluble in chloroform, ether expand Show data source
Apperance
Crystalline expand Show data source
pearls expand Show data source
pellets expand Show data source
powder expand Show data source
Solid Crystalline expand Show data source
white powder expand Show data source
White solid expand Show data source
Melting Point
130-135°C expand Show data source
132-135 °C expand Show data source
132-135 °C(lit.) expand Show data source
132-135°C expand Show data source
133 °C with decomposition expand Show data source
133–135 °C expand Show data source
133-135°C expand Show data source
Boiling Point
Decomposes at 135 °C (275 °F). expand Show data source
Flash Point
Non-flammable expand Show data source
Density
1.32 g/cm3 expand Show data source
1.335 expand Show data source
1.335 g/cm3 at 20 °C expand Show data source
1.335 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.40 expand Show data source
Vapor Pressure
.000016 hPa at 25 °C expand Show data source
Absorption Wavelength
A5M/260 ≤0.06 expand Show data source
A5M/260 nm ≤0.06 expand Show data source
A5M/280 ≤0.06 expand Show data source
A5M/280 nm ≤0.06 expand Show data source
A6M/260 ≤0.06 expand Show data source
A6M/280 ≤0.06 expand Show data source
λ: 260 nm Amax: ≤0.03 expand Show data source
λ: 260 nm Amax: 0.03 expand Show data source
λ: 280 nm Amax: ≤0.02 expand Show data source
λ: 280 nm Amax: 0.02 expand Show data source
pKb
pKBH+ = 0.18 expand Show data source
pH
7.5-9.5 (20 °C, 5 M in H2O) expand Show data source
8.0-10.0 (20 °C, 8 M in H2O) expand Show data source
8.0-10.0 (25 °C) expand Show data source
8.0-10.0 (25 °C, 8 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
YR6250000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
EU Index
Not listed expand Show data source
LD50
8500 mg/kg (oral, rat) expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... CA1(759), CA2(760), EPHX2(2053)mouse ... Ephx2(13850)rat ... Ppm1a(24666) expand Show data source
human ... CA1(759), CA2(760)rat ... Ppm1a(24666) expand Show data source
Purity
≥98.0% expand Show data source
≥99.0% expand Show data source
≥99.0% (N) expand Show data source
≥99.0% (T) expand Show data source
≥99.5% expand Show data source
≥99.5% (T) expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
99.0-100.5% expand Show data source
99.0-101.0% (calc. on dry substance) expand Show data source
99.3+% expand Show data source
99-101% (calc. on dry substance) expand Show data source
Concentration
~8 M in H2O expand Show data source
40 % (w/v) in H2O expand Show data source
40% in H2O expand Show data source
8 M (after reconstitution with 16 mL high purity water) expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. Ph. Eur. expand Show data source
for electrophoresis expand Show data source
for microbiology expand Show data source
for molecular biology expand Show data source
JIS special grade expand Show data source
Ph Eur expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
purum p.a. expand Show data source
REAGENT expand Show data source
reagent grade expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
vial of 5 mL expand Show data source
Suitability
in accordance for appearance of solution expand Show data source
in accordance for identity expand Show data source
meets USP testing specifications expand Show data source
suitable for cell culture expand Show data source
Ignition Residue
≤0.01% expand Show data source
≤0.01% (as SO4) expand Show data source
≤0.1% expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
<0.005% formaldehyde (HCHO) expand Show data source
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.005% Ammonia expand Show data source
≤0.005% formaldehyde (HCHO) expand Show data source
≤0.005% Phosphorus (P) expand Show data source
≤0.01% Insoluble matter expand Show data source
≤0.04% insoluble in ethanol expand Show data source
≤0.05% ammonium (NH4) expand Show data source
≤0.05% biuret expand Show data source
≤0.1% biuret expand Show data source
≤0.1% biuret(carbamylurea) expand Show data source
≤0.1% Insoluble matter expand Show data source
alkalic reac. substances, complies expand Show data source
DNases, none detected expand Show data source
insoluble matter, passes filter test expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
residual solvents, complies expand Show data source
RNases, none detected expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤1 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤1 mg/kg expand Show data source
Cu: ≤1 ppm expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤0.5 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
Fe: ≤1 ppm expand Show data source
Fe: ≤2 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤0.001% expand Show data source
K: ≤0.005% expand Show data source
K: ≤20 mg/kg expand Show data source
K: ≤300 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤20 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤1 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤1 mg/kg expand Show data source
Pb: ≤2 ppm expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤5 ppm expand Show data source
Sr: ≤1 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤1 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤5 mg/kg expand Show data source
chloride (Cl-): ≤5 ppm expand Show data source
sulfate (SO42-): ≤0.001% expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
sulfate (SO42-): ≤10 mg/kg expand Show data source
sulfate (SO42-): ≤30 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Contains
0.1% benzoic acid as preservative expand Show data source
Foreign Activity
DNase, NICKase, RNase and protease, none detected expand Show data source
Sterility
non-sterile; sterile-filtered expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Loss on Drying
≤0.05% loss on drying, 20 °C (HV) expand Show data source
≤0.1% loss on drying, 20 °C (HV) expand Show data source
≤1.0% loss on drying, 105 °C, 1 h expand Show data source
≤1.0% loss on drying, 105°C, 1 h expand Show data source
Quality Level
PREMIUM expand Show data source
Quality
crystallized expand Show data source
meets analytical specification of Ph. Eur., BP, USP expand Show data source
λ
8 M in H2O expand Show data source
neat expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
NH2CONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02103209 external link
Crystalline
Reagent Grade
Suitable for most standard applications.
MP Biomedicals - 02105695 external link
Ultra Pure
Purity: 99%
4X Crystallized
Suitable for use as a protein denaturant.
DrugBank - DB03904 external link
Item Information
Drug Groups experimental
Description A compound formed in the liver from ammonia produced by the deamination of amino acids. It is the principal end product of protein catabolism and constitutes about one half of the total urinary solids. [PubChem]
Indication

  • 10% hydrate skin

  • 15% accelerate fibrin degradation

  • 20-30% are antipruritic, break down keratin, decrease the thickness of the stratum corneum and are used in scaling conditions such as ichthysosis

  • 40% are proteolytic and may be used to dissolve and peel dystrophic nails



[Patient Self Care, 2010]
Pharmacology As a humectant, urea draws water into the striatum corneum.
External Links
Drugs.com
Sigma Aldrich - U4128 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
Sigma Aldrich - 51458 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Other Notes
Acetic acid -urea PAGE of proteins1; In the extraction of mitochondrial complex V2; Calibration of polyacrylamide gel columns for the separation of oligonucleotides by capillary electrophoresis3; Tryptophan fluorescence in electron-transfer flavoprotein:ubiquinone oxidoreductase4; Denaturation curve5
Sigma Aldrich - U4884 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
Sigma Aldrich - 51465 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - U6504 external link
Application
使蛋白质增溶和变性以用于变性等电聚焦和二维电泳的离液剂。
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
Sigma Aldrich - U4883 external link
Application
Useful for solubilizing and denaturing proteins in preparation for 2D-PAGE, enzymatic digests, IMAC Chromatography, and related procedures.
Sigma Aldrich - 02493 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Urea can be used to study chaotropic agents, denaturation, biochemicals and reagents. Urea has been used to test whether the co-delivery of synergistic drug combinations in the same liposome provides a better anti-tumor effect than the drugs administered in separate liposomes.
Sigma Aldrich - U7129 external link
Application
建议用于检测尿素酶活性。
Preparation Note
Warm the refrigerated 40% urea solution to room temperature. Aseptically add 5 mL to 95 mL of sterile molten Urea Agar Base (Christensen). Mix well and dispense in sterile tubes.
Sigma Aldrich - 08582 external link
Components
(per vial, sufficient for 100 mL medium):Urea 2.0 g, Distilled water 5.0 ml
General description
Filter sterilized urea solution recommended for detection of urease activity.
Sigma Aldrich - 51456 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Other Notes
Denaturing reagent1; Commonly used in conjunction with polyacrylamide gel electrophoresis for the fractionation of single-stranded nucleic acids with chains of up to 200 nucleotides2,3,4
Sigma Aldrich - 208884 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - U5378 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
Sigma Aldrich - U0631 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
Sigma Aldrich - 51461 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - U5128 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
包装
1 kg in poly bottle
5 kg in poly drum
5, 100, 500 g in poly bottle
Sigma Aldrich - 32-0290 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - 51460 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - 32-0280 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - 15604 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - 32-0291 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Suitability
for biological purposes
Sigma Aldrich - U1250 external link
Application
用于蛋白质变性以及作为不溶性或变性蛋白的温和增溶剂。可用于从已由 6M 盐酸胍变性的样品(如包涵体)复性蛋白质。可与盐酸胍和二硫苏糖醇 (DTT) 一起用于复性变性蛋白以恢复其天然或活性形式。
包装
1 kg in poly bottle
5 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC
Sigma Aldrich - 51459 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.
Sigma Aldrich - 33247 external link
Application
Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reacts with alcohols on prolonged heating to give alkyl carbamates; see, e.g.: Org. Synth. Coll., 1, 140 (1941).
  • • Widely used in diazotization reactions for the destruction of excess HNO2.
  • • For the one-pot conversion of carboxylic acids to nitriles, by heating with urea in the presence of 1.5-2.0 moles of sulfamic acid, see: Chimia, 25, 94 (1971).
  • • For a procedure for conversion of carboxylic acids to primary amides by heating with urea, see: Org. Synth. Coll., 3, 768 (1955); 4, 513 (1963).
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PATENTS

PATENTS

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INTERNET

INTERNET

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