4-Aminosalicylic acid

C7H7NO3CAS 65-49-6153.14 g/mol

Open in Covalent MOL file
H2NOOHOH
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
150.5 °C (decomposes)
pKa
3.625
logP
0.67Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
65-49-6
SMILES
Nc1ccc(C(=O)O)c(O)c1
InChIKey
WUBBRNOQWQTFEX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

42 names · show all
  • Benzoic acid, 4-amino-2-hydroxy-
  • Salicylic acid, 4-amino-
  • 4-Amino-2-hydroxybenzoic acid
  • Apacil
  • Apas
  • Deapasil
  • Pamacyl
  • para-Pas
  • Parasal
  • Parasalicil
  • Parasalindon
  • PAS (acid)
  • Pasara
  • Pasem
  • Pasmed
  • Pasnodia
  • Propasa
  • Rezipas
  • PASK
  • 2-Hydroxy-4-aminobenzoic acid
  • para-Aminosalicylic acid
  • Pasolac
  • Sanipirol-4
  • 3-Hydroxy-4-carboxyaniline
  • Paramycin
  • Gabbropas
  • Amino-PAS
  • Osacyl
  • Pasalon
  • Entepas
  • Pasa
  • PAS
  • p-Aminosalicylic acid
  • 4-ASA
  • 4-Carboxy-3-hydroxyaniline
  • Pamisyl
  • NSC 2083
  • NSC 211698
  • Monopass
  • Paser
  • Euteropas
  • Granupas

Work with 4-Aminosalicylic 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

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.

Sodium p-aminosalicylate133-10-8Salt Calcium p-aminosalicylate133-15-3Salt Aminosalicylate sodium6018-19-5Salt Aminosalicylate calcium6059-16-1Salt

Similar compounds

5-Aminosalicylic acid89-57-674 % similar 4-Aminophthalic acid5434-21-970 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-265 % similar 4-Methylsalicylic acid50-85-164 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-563 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar 4-Amino-2-chlorobenzoic acid2457-76-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook