chempirical

4-Aminobenzoic acid

C7H7NO2CAS 150-13-0137.14 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
188.5 °C
Boiling point
200 °C (at 10 Torr)
logP
0.97Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
150-13-0
SMILES
Nc1ccc(C(=O)O)cc1
InChIKey
ALYNCZNDIQEVRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

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Names and synonyms

33 names · show all
  • Benzoic acid, 4-amino-
  • Benzoic acid, p-amino-
  • Amben
  • p-Aminobenzoic acid
  • Anticanitic vitamin
  • Chromotrichia factor
  • anti-Chromotrichia factor
  • PABA
  • Paraminol
  • Trichochromogenic factor
  • Vitamin BX
  • Vitamin H'
  • p-Carboxyaniline
  • Paranate
  • p-Carboxyphenylamine
  • 4-Carboxyaniline
  • PAB
  • Hachemina
  • Pabacyd
  • Pabafilm
  • Pabamine
  • Romavit
  • Aniline-4-carboxylic acid
  • Sunbrella
  • Antichromotrichia factor
  • Anticantic vitamin
  • Bacterial vitamin H1
  • NSC 7627
  • 4-Carboxyphenylamine
  • Actipol
  • 4-Aminobenzenecarboxylic acid
  • p-Aminobenzenecarboxylic acid
  • Para-Aminobenzoates

Work with 4-Aminobenzoic acid

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

6-Amino-2-naphthoic acid116668-47-466 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar 3,5-Diaminobenzoic acid535-87-562 % similar 4-(Aminocarbonyl)benzoic acid6051-43-062 % similar 3,5-Dicarboxyaniline99-31-062 % similar 3-Aminobenzoic acid99-05-859 % similar 4,4′-Oxybis[benzoic acid]2215-89-658 % similar 4-Hydrazinobenzoic acid619-67-057 % similar

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

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9 4-Methylnicotinic acid3222-50-2

Elsewhere

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