chempirical

Aces (buffer)

C4H10N2O4SCAS 7365-82-4182.19 g/mol

Open in Covalent MOL file
NH2ONHSOOOH
Secondary amineSulfonic acid

Properties

Molecular formula
C4H10N2O4S
Molar mass
182.19 g/mol
Exact mass
182.0361 Da
logP
-1.00Crippen estimate
Polar surface area
110.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
7365-82-4
SMILES
N=C(O)CNCCS(=O)(=O)O
InChIKey
DBXNUXBLKRLWFA-UHFFFAOYSA-N
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)

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Names and synonyms

8 names
  • Ethanesulfonic acid, 2-[(2-amino-2-oxoethyl)amino]-
  • Taurine, N-(carbamoylmethyl)-
  • 2-[(2-Amino-2-oxoethyl)amino]ethanesulfonic acid
  • ACES
  • NSC 166668
  • N-(2-Acetamido)-2-aminoethanesulfonic acid
  • 2-[(2-Amino-2-oxoethyl)azaniumyl]ethanesulfonate
  • 2-[(Carbamoylmethyl)amino]ethane-1-sulfonic acid

Work with Aces (buffer)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tes (buffer)7365-44-838 % similar 1,3-Propanedisulfonic acid21668-77-937 % similar 1,4-Butanedisulfonic acid27665-39-037 % similar 2-S-Thiuronium ethanesulfonate108710-70-936 % similar 2-[(Aminoiminomethyl)thio]ethanesulfonic acid25985-57-336 % similar 3-[(Aminoiminomethyl)thio]-1-propanesulfonic acid21668-81-534 % similar Taurine107-35-733 % similar Bromoethanesulfonic acid26978-65-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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