Phenyl 4-aminosalicylate

C13H11NO3CAS 133-11-9229.24 g/mol

Open in Covalent MOL file
H2NOOOH
EsterPhenolPrimary amine

Properties

Molecular formula
C13H11NO3
Molar mass
229.24 g/mol
Exact mass
229.0739 Da
Melting point
153 °C
logP
2.19Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
133-11-9
SMILES
Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
InChIKey
DNVVZWSVACQWJE-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzoic acid, 4-amino-2-hydroxy-, phenyl ester
  • Salicylic acid, 4-amino-, phenyl ester
  • p-Aminosalicylic acid phenyl ester
  • p-Aminosalol
  • Fenamisal
  • Phenyl p-aminosalicylate
  • Phenyl aminosalicylate
  • Phenyl PAS
  • Phenyl-PAS-tebamin
  • Tebamin
  • Tebanyl
  • FR 7
  • PAS-Tebamin
  • Tebamin-leo
  • Phenyl 4-amino-2-hydroxybenzoate
  • 4-Aminosalicylic acid phenyl ester
  • Pheny-PAS-tebamin
  • 4-Amino-2-hydroxybenzoic acid phenyl ester
  • NSC 40144

Work with Phenyl 4-aminosalicylate

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

Phenyl salicylate118-55-865 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-463 % similar Phenyl 2-hydroxy-4,5-dimethoxybenzoate877997-98-357 % similar Phenyl 1,4-dihydroxy-2-naphthalenecarboxylate54978-55-155 % similar Diphenyl phthalate84-62-853 % similar 4-Aminosalicylic acid65-49-653 % similar 4'-Amino-2'-hydroxyacetophenone2476-29-151 % similar p-Chlorophenyl salicylate2944-58-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-4'-nitrobiphenyl2143-90-0 3-(3-Amino-2-hydroxyphenyl)benzoic acid376592-93-7 Osalmid526-18-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook