Home > Compound List > Compound details
7365-82-4 molecular structure
click picture or here to close

2-[(carbamoylmethyl)amino]ethane-1-sulfonic acid

ChemBase ID: 102056
Molecular Formular: C4H10N2O4S
Molecular Mass: 182.1982
Monoisotopic Mass: 182.03612781
SMILES and InChIs

SMILES:
NC(=O)CNCCS(=O)(=O)O
Canonical SMILES:
NC(=O)CNCCS(=O)(=O)O
InChI:
InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
InChIKey:
DBXNUXBLKRLWFA-UHFFFAOYSA-N

Cite this record

CBID:102056 http://www.chembase.cn/molecule-102056.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(carbamoylmethyl)amino]ethane-1-sulfonic acid
IUPAC Traditional name
ACES
Synonyms
N-(2-Acetamido)-2-aminoethanesulfonic acid
ACES (buffer)
N-(Carbamoylmethyl)-2-aminoethanesulfonic acid
ACES
N-[2-Acetamido]-2-aminoethanesulfonic acid
N-(Carbamoylmethyl)taurine
ACES
2-[(2-Amino-2-oxoethyl)amino]-ethanesulfonic acid
ACES, ULTRA PURE
2-((2-Amino-2-oxoethyl)amino)ethanesulfonic acid
N-(2-乙酰氨基)-2-氨基乙烷磺酸
N-(氨基甲酰甲基)-2-氨基乙烷磺酸
N-(氨基甲酰甲基)牛磺酸
N-氨基甲酰甲基乙磺酸
N-(2-乙酰氨基)-2氨基乙磺酸
CAS Number
7365-82-4
EC Number
230-908-4
MDL Number
MFCD00008030
Beilstein Number
2253770
Merck Index
1436
PubChem SID
162088363
24844987
24891495
24890788
24891297
PubChem CID
81832
CHEBI ID
39062
Chemspider ID
73843
Wikipedia Title
ACES_(buffer)

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.6206563  H Acceptors
H Donor LogD (pH = 5.5) -3.721211 
LogD (pH = 7.4) -3.807757  Log P -3.7199817 
Molar Refractivity 37.2865 cm3 Polarizability 15.686517 Å3
Polar Surface Area 109.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 M at 20 °C, clear, colorless expand Show data source
Melting Point
> 280°C (decomposes) expand Show data source
>220 °C (dec.)(lit.) expand Show data source
ca 275°C dec. expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.008 expand Show data source
λ: 280 nm Amax: 0.005 expand Show data source
pKa
6.8 (25°C) expand Show data source
pH
3.0-4.5 (25 °C, 0.1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) 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
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
>99% expand Show data source
≥99.0% (titration) expand Show data source
≥99.5% (T) expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
endotoxin and bioburden, tested expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.005% expand Show data source
Al: ≤10 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 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
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.002% expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.005 expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤250 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
≤0.5% loss on drying, 20 °C (HV) expand Show data source
λ
0.1 M in H2O expand Show data source
Useful pH Range
6.1 - 7.5 expand Show data source
Product Line
BioReagent expand Show data source
BioUltra expand Show data source
BioXtra expand Show data source
abs.
A0.1M/260, H2O ≤0.05 expand Show data source
A0.1M/280, H2O ≤0.05 expand Show data source
Linear Formula
H2NCOCH2NHCH2CH2SO3H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02100011 external link
Purity: >99%
Crystalline
pKa = 6.8 at 25°C.
Useful pH range 6.1-7.5.
MP Biomedicals - 02193973 external link
Ultra Pure Grade
Purity: >99%
Useful pH range 6.1-7.5
Sigma Aldrich - A9758 external link
Packaging
1 kg in poly bottle
25, 100, 250 g in poly bottle
Sigma Aldrich - 00194 external link
Other Notes
Biological buffer component with sodium hydroxide and sodium chloride (pH 5.93-7.83, useful range 6.4-7.4)1; An efficient separator (pH gradient of less than 1 pH unit) in the resolution of protein systems by IEF2; Improves phenotyping of α1-antitrypsin by isoelectric focusing on agarose gel3
Application
ACES, or N-(2-Acetamido)-2-aminoethanesulfonic acid, can be used to study biological buffers and zwitterionic compounds. ACES has been used in a study to determine the levels of ibuprofen and flurbiprofen in pharmaceuticals by capillary zone electrophoresis.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Biological buffer, pK a = 6.9 at 20 o : Biochemistry, 5, 467 (1966).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle