Sodium 2,4-diaminobenzenesulfonate

C6H7N2NaO3SCAS 3177-22-8210.18 g/mol

Open in Covalent MOL file
H2NSO−OONH2Na+
Primary amineSulfonic 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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
3177-22-8
SMILES
Nc1ccc(S([O-])(=O)=O)c(N)c1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

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.

2,4-Diaminobenzenesulfonic acid88-63-1Free acid

Similar compounds

Sodium p-aminobenzenesulfonate515-74-256 % similar Sodium naphthionate130-13-256 % similar Sodium m-aminobenzenesulfonate1126-34-754 % similar 8-Aminopyrene-1,3,6-trisulfonic acid trisodium salt196504-57-154 % 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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