Sodium m-aminobenzenesulfonate

C6H6NNaO3SCAS 1126-34-7195.17 g/mol

Open in Covalent MOL file
H2NSO−OONa+
Primary amineSulfonic acid

Properties

Molecular formula
C6H6NNaO3S
Molar mass
195.17 g/mol
Exact mass
194.9966 Da
logP
0.13Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
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
1126-34-7
SMILES
Nc1cccc(S([O-])(=O)=O)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

10 names
  • Benzenesulfonic acid, 3-amino-, sodium salt (1:1)
  • Metanilic acid, monosodium salt
  • Benzenesulfonic acid, 3-amino-, monosodium salt
  • Metanilic acid sodium salt
  • Sodium metanilate
  • 1-Aminobenzene-3-sulfonic acid sodium salt
  • Sodium 3-aminobenzenesulfonate
  • Sodium 1-amino-3-benzenesulfonate
  • 3-Aminobenzenesulfonic acid sodium salt
  • 3-Aminobenzenesulfonic acid monosodium salt

Work with Sodium m-aminobenzenesulfonate

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.

Metanilic acid121-47-1Free acid

Similar compounds

Disodium m-benzenedisulfonate831-59-471 % similar TPPTS63995-70-059 % similar 3,3'-Sulphonyldianiline599-61-158 % similar Sodium benzenesulfonate515-42-457 % similar 3-Aminobenzenesulfonamide98-18-055 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-854 % similar Disodium 2,6-naphthalenedisulfonate1655-45-453 % similar 3-(Methylsulphonyl)aniline35216-39-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium p-aminobenzenesulfonate515-74-2

Elsewhere

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