chempirical

Methyltaurine sodium salt

C3H8NNaO3SCAS 4316-74-9161.15 g/mol

Open in Covalent MOL file
NHSO−OONa+
Secondary amineSulfonic acid

Properties

Molecular formula
C3H8NNaO3S
Molar mass
161.15 g/mol
Exact mass
161.0123 Da
logP
-1.29Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
4316-74-9
SMILES
CNCCS([O-])(=O)=O.[Na+]
InChIKey
ZDSCFBCGDDCJFZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);

Weigh it out

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

Names and synonyms

17 names · show all
  • Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1)
  • Ethanesulfonic acid, 2-(methylamino)-, monosodium salt
  • Taurine, N-methyl-, monosodium salt
  • Taurine, N-methyl-, sodium salt
  • Sodium N-methyltaurinate
  • Sodium (methylamino)ethanesulfonate
  • Sodium 2-(methylamino)ethanesulfonate
  • N-Methyltaurine monosodium salt
  • N-Methyltaurine sodium salt
  • Sodium methyltaurate
  • Sodium methyltaurine
  • Sodium N-methyltaurate
  • Sodium N-methyltaurine
  • 2-(Methylamino)ethanesulfonic acid sodium salt
  • Sodium N-methylaminoethanesulfonate
  • Sodium 2-(N-methylamino)ethanesulfonate
  • N-Methyltaurate sodium salt

Work with Methyltaurine sodium salt

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

Disodium 1,2-ethanedisulfonate5325-43-958 % similar Propylsulfonic acid sodium salt14533-63-256 % similar Disodium butane-1,4-disulfonate36589-61-454 % similar Sodium 5-amino-3-azapentane-1-sulfonate34730-59-153 % similar Sodium 1-butanesulfonate2386-54-150 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-750 % similar Sodium pentanesulfonate22767-49-348 % similar Sodium 2-chloroethanesulfonate15484-44-348 % similar

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

Elsewhere

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