N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt

C₁₁H₁₆NNaO₆SCAS 82692-88-4313.30 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine Sulfonic acid

Properties

Molecular formula: C₁₁H₁₆NNaO₆S
Molar mass: 313.30 g/mol
Exact mass: 313.0596 Da
logP: -2.97Crippen estimate
Polar surface area: 107.9 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

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

82692-88-4

SMILES

COC1=CC(=CC(=C1)NCC(CS(=O)(=O)[O-])O)OC.[Na+]

InChIKey

SVLRFMQGKVFRTB-UHFFFAOYSA-M

InChI

InChI=1S/C11H17NO6S.Na/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(13)7-19(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1

Weigh it out

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

Work with N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline 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

Sodium 3-(ethyl(3-methoxyphenyl)amino)-2-hydroxypropane-1-sulfonate dihydrate82692-96-448 % similar 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)102601-34-346 % similar Ampso sodium salt102029-60-745 % similar 3-[N-Tris(hydroxymethyl)methylamino]-2-hydroxypropanesulfonic acid sodium salt105140-25-845 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-043 % similar Sodium 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-1-propanesulfonate (1:1)82692-97-541 % similar Mopso sodium salt79803-73-940 % similar Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate52556-42-039 % similar

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

Elsewhere

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