Sodium 2,4-diaminobenzenesulfonate

C₆H₇N₂NaO₃SCAS 3177-22-8210.18 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₇N₂NaO₃S
Molar mass: 210.18 g/mol
Exact mass: 210.0075 Da
logP: -0.28Crippen estimate
Polar surface area: 106.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

3177-22-8

SMILES

Nc1ccc(S([O-])(=O)=O)c(N)c1.[Na+]

InChIKey

ZSBCZEFDYNLRQQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,7-8H2,(H,9,10,11);

Weigh it out

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

Names and synonyms

7 names

Benzenesulfonic acid, 2,4-diamino-, sodium salt (1:1)
Benzenesulfonic acid, 2,4-diamino-, monosodium salt
Benzenesulfonic acid, 2,4-diamino-, sodium salt
Sodium m-phenylenediamine-4-sulfonate
1,3-Phenylenediamine-4-sulfonic acid sodium salt
Sodium 1,3-phenylenediamine-4-sulfonate
2,4-Diaminobenzenesulfonic acid monosodium salt

Work with Sodium 2,4-diaminobenzenesulfonate

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 P-aminobenzenesulfonate515-74-256 % similar 2,4-Diaminobenzenesulfonic acid88-63-156 % similar Sodium naphthionate130-13-256 % similar Sodium m-aminobenzenesulfonate1126-34-754 % similar 2-Aminobenzene-1,4-sulfonic acid monosodium salt24605-36-554 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-451 % similar Sodium 2-amino-5-nitrobenzenesulfonate30693-53-949 % similar Tetrasodium 1,3,6,8-pyrenetetrasulfonate59572-10-047 % similar

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

Elsewhere

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