chempirical

Sodium 5-amino-3-azapentane-1-sulfonate

C4H11N2NaO3SCAS 34730-59-1190.19 g/mol

Open in Covalent MOL file
H2NNHSO−OONa+
Primary amineSecondary amineSulfonic acid

Properties

Molecular formula
C4H11N2NaO3S
Molar mass
190.19 g/mol
Exact mass
190.0388 Da
logP
-1.96Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
34730-59-1
SMILES
NCCNCCS([O-])(=O)=O.[Na+]
InChIKey
ROZLDLJVUNEAFL-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1)
  • Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt
  • Sodium N-(2-aminoethyl)aminoethanesulfonate
  • Sodium 2-[(2-aminoethyl)amino]ethanesulfonate
  • N-(2-Sulfoethyl)ethylenediamine sodium salt
  • 2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt
  • EES 200L
  • N-(2-Aminoethyl)-2-aminoethanesulfonic acid sodium salt
  • Vestamin A 95
  • A 95
  • N 60
  • Evonik A 95
  • Sodium N-(2-aminoethyl)-2-aminoethanesulfonate
  • AAS
  • A 950
  • Ethanesulfonic acid, sodium salt, compd. with 1,2-ethanediamine (1:1:1)

Work with Sodium 5-amino-3-azapentane-1-sulfonate

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

Methyltaurine sodium salt4316-74-953 % similar Disodium 1,2-ethanedisulfonate5325-43-952 % similar Disodium butane-1,4-disulfonate36589-61-448 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-746 % similar Propylsulfonic acid sodium salt14533-63-245 % similar Sodium 2-chloroethanesulfonate15484-44-344 % similar Sodium 2-hydroxyethyl sulfonate1562-00-144 % similar Mesna19767-45-444 % similar

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

Elsewhere

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