N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt

C₇H₁₆NNaO₆SCAS 91000-53-2265.26 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₆NNaO₆S
Molar mass: 265.26 g/mol
Exact mass: 265.0596 Da
logP: -5.77Crippen estimate
Polar surface area: 129.9 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

91000-53-2

SMILES

C(CNC(CO)(CO)CO)CS(=O)(=O)[O-].[Na+]

InChIKey

FEGYIWVHCSRXCG-UHFFFAOYSA-M

InChI

InChI=1S/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14;/h8-11H,1-6H2,(H,12,13,14);/q;+1/p-1

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Names and synonyms

1 names

3-(n-Tris-(hydroxymethyl)methylamino)propanesulphonic acid, sodium salt

Work with N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Taps (buffer)29915-38-6Free acid

Similar compounds

Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-781 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-854 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-952 % similar Disodium butane-1,4-disulfonate36589-61-452 % similar Bis-tris propane64431-96-548 % similar Sodium 2-hydroxyethyl sulfonate1562-00-147 % similar Tes (buffer)7365-44-846 % similar Disodium 1,2-ethanedisulfonate5325-43-945 % similar

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

Same formula

3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-0

Elsewhere

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