Home > Compound List > Compound details
58069-82-2 molecular structure
click picture or here to close

(13C)urea

ChemBase ID: 106256
Molecular Formular: CH4N2O
Molecular Mass: 61.04791484
Monoisotopic Mass: 61.0357176
SMILES and InChIs

SMILES:
N[13C](=O)N
Canonical SMILES:
N[13C](=O)N
InChI:
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
InChIKey:
XSQUKJJJFZCRTK-OUBTZVSYSA-N

Cite this record

CBID:106256 http://www.chembase.cn/molecule-106256.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(13C)urea
IUPAC Traditional name
urea C13
Synonyms
Aquacare-13C
Aquadrate-13C
B-I-K-13C
Basodexan-13C
Benural 70-13C
Carbamimidic Acid-13C
Carbonyl Diamide-13C
Carmol 40-13C
Keratinamin-13C
Urepearl-13C
HELIKIT
KW 9100
OPC 198
Urea-13C
UREA [13C]
13C Labeled urea
Carbamide-13C
Carbonyldiamide-13C
Urea-13C
尿素-13C
CAS Number
58069-82-2
MDL Number
MFCD00064398
PubChem SID
24858037
24881841
162093141
PubChem CID
636363

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 636363 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  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

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
132-135 °C(lit.) expand Show data source
133-137°C expand Show data source
Mass Shift
M+1 expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere 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
German water hazard class
1 expand Show data source
Purity
99% expand Show data source
Grade
research grade expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Mol. Weight
mol wt 61.05 by atom % calculation expand Show data source
Linear Formula
H2N13CONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02530387 external link
H2 NC ONH2
Purity: 99% 13 C atom
Sigma Aldrich - 603430 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - 299359 external link
Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Toronto Research Chemicals - U822503 external link
Labelled Urea. Physiological regulator of nitrogen excretion in mammals; synthesized in the liver as an end-product of protein catabolism and excreted in urine. Also occurs normally in skin. Emollient; diuretic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Demetriou, A., et al.: Science, 233, 1190 (1986)
  • • Aebischer, P., et al.: Nat. Med., 2, 696 (1986)
  • • Prakash, S., et al.: Biotechnol. Bioeng., 46, 621 (1986)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle