3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt

C₇H₁₆NNaO₆SCAS 102783-62-0265.26 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid Tertiary amine

Properties

Molecular formula: C₇H₁₆NNaO₆S
Molar mass: 265.26 g/mol
Exact mass: 265.0596 Da
logP: -5.82Crippen estimate
Polar surface area: 121.1 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 8

Identifiers

CAS number

102783-62-0

SMILES

C(CO)N(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

InChIKey

UASJMJKAMKICKL-UHFFFAOYSA-M

InChI

InChI=1S/C7H17NO6S.Na/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14;/h7,9-11H,1-6H2,(H,12,13,14);/q;+1/p-1

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Names and synonyms

1 names

Sodium 3-(bis(2-hydroxyethyl)amino)-2-hydroxypropane-1-sulfonate

Work with 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic 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

Similar compounds

3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-458 % similar Sodium hepes75277-39-355 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-055 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-053 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-848 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-345 % similar Sodium 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-1-propanesulfonate (1:1)82692-97-545 % similar Ampso sodium salt102029-60-745 % similar

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

Elsewhere

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