Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)

C₆H₁₄NNaO₆SCAS 70331-82-7251.23 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Sulfonic acid

Properties

Molecular formula: C₆H₁₄NNaO₆S
Molar mass: 251.23 g/mol
Exact mass: 251.0440 Da
logP: -3.20Crippen estimate
Polar surface area: 127.1 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 7

Identifiers

CAS number

70331-82-7

SMILES

[O-]S(=O)(=O)CCNC(CO)(CO)CO.[Na+]

InChIKey

RZXIDWPMRRFGDF-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO6S.Na/c8-3-6(4-9,5-10)7-1-2-14(11,12)13;/h7-10H,1-5H2,(H,11,12,13);

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Names and synonyms

1 names

Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, monosodium salt

Work with Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)

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

3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-856 % similar Tes (buffer)7365-44-853 % similar Sodium 2-hydroxyethyl sulfonate1562-00-150 % similar Methyltaurine sodium salt4316-74-950 % similar Disodium 1,2-ethanedisulfonate5325-43-948 % similar Taps (buffer)29915-38-646 % similar Sodium 5-amino-3-azapentane-1-sulfonate34730-59-146 % similar Disodium butane-1,4-disulfonate36589-61-445 % similar

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

Elsewhere

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