3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt

C₇H₁₆NNaO₇SCAS 105140-25-8281.25 g/mol

Open in Covalent MOL file

Alcohol Secondary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₆NNaO₇S
Molar mass: 281.25 g/mol
Exact mass: 281.0545 Da
logP: -6.80Crippen estimate
Polar surface area: 150.2 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H371 May cause damage to organs100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P308+P316, P321, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

105140-25-8

SMILES

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

InChIKey

XRADYQRMWVBZEH-UHFFFAOYSA-M

InChI

InChI=1S/C7H17NO7S.Na/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15;/h6,8-12H,1-5H2,(H,13,14,15);/q;+1/p-1

Weigh it out

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

Names and synonyms

1 names

Sodium 3-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-2-hydroxypropane-1-sulfonate

Work with 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic 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.

TAPSO68399-81-5Free acid

Similar compounds

Ampso sodium salt102029-60-773 % similar Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1)70331-82-756 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-355 % similar N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt91000-53-254 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-051 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-048 % similar N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt82692-88-445 % similar Mopso sodium salt79803-73-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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