chempirical

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

Identifiers

CAS number
1126-34-7
SMILES
Nc1cccc(S([O-])(=O)=O)c1.[Na+]
InChIKey
FWKVAEVXCJQSGA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);

Weigh it out

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

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

Similar compounds

Disodium m-benzenedisulfonate831-59-471 % similar Tppts63995-70-059 % similar 3,3′-Diaminodiphenyl sulfone599-61-158 % 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 Metanilic acid121-47-153 % similar

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

Same formula

Sodium P-aminobenzenesulfonate515-74-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook