chempirical

Sodium P-aminobenzoate

C7H6NNaO2CAS 555-06-6159.12 g/mol

Open in Covalent MOL file
H2NO−ONa+
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H6NNaO2
Molar mass
159.12 g/mol
Exact mass
159.0296 Da
logP
0.59Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
555-06-6
SMILES
Nc1ccc(C([O-])=O)cc1.[Na+]
InChIKey
XTXHHNGLSNTVDF-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);

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Names and synonyms

9 names
  • Benzoic acid, 4-amino-, sodium salt (1:1)
  • Benzoic acid, p-amino-, monosodium salt
  • Benzoic acid, 4-amino-, monosodium salt
  • Benzoic acid, p-amino-, sodium salt
  • Sodium 4-aminobenzoate
  • Antergyl
  • Pabavit
  • p-Aminobenzoic acid sodium salt
  • Aminobenzoate sodium

Work with Sodium P-aminobenzoate

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

Potassium P-aminobenzoate138-84-178 % similar Sodium benzoate532-32-161 % similar Sodium P-hydroxybenzoate114-63-660 % similar Sodium p-fluorobenzoate499-90-160 % similar 4-Trifluoromethylbenzoic acid sodium salt25832-58-055 % similar Sodium P-aminosalicylate133-10-853 % similar 4,4′-Diaminobenzophenone611-98-350 % similar Sodium P-aminohippurate94-16-650 % similar

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

Elsewhere

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