4-Aminophenylacetic acid

C8H9NO2CAS 1197-55-3151.17 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.17 g/mol
Exact mass
151.0633 Da
Melting point
200 °C (decomposes)
logP
0.90Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
1197-55-3
SMILES
Nc1ccc(CC(=O)O)cc1
InChIKey
CSEWAUGPAQPMDC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)

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Names and synonyms

7 names
  • Benzeneacetic acid, 4-amino-
  • Acetic acid, (p-aminophenyl)-
  • 4-Aminobenzeneacetic acid
  • p-Aminophenylacetic acid
  • 4-(Carboxymethyl)aniline
  • 2-(4-Aminophenyl)acetic acid
  • NSC 7929

Reactions

Work with 4-Aminophenylacetic 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

1,4-Benzenediacetic acid7325-46-475 % similar 3-(4-Aminophenyl)propionic acid2393-17-169 % similar 4-(4-Aminophenyl)butanoic acid15118-60-265 % similar (3-Aminophenyl)acetic acid14338-36-463 % similar 4-Hydroxyphenylacetic acid156-38-762 % similar 4-(Hydroxymethyl)phenylacetic acid73401-74-862 % similar Phenylacetic acid103-82-261 % similar 4-(Bromomethyl)phenylacetic acid13737-36-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-4

Elsewhere

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