4-(Aminomethyl)benzoic acid

C8H9NO2CAS 56-91-7151.16 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
346 °C
logP
0.84Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
56-91-7
SMILES
NCc1ccc(C(=O)O)cc1
InChIKey
QCTBMLYLENLHLA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 4-(aminomethyl)-
  • p-Toluic acid, α-amino-
  • p-(Aminomethyl)benzoic acid
  • Benzylamine-4-carboxylic acid
  • PAMBA
  • α-Amino-p-toluic acid
  • 4-Carboxybenzylamine
  • Gumbix
  • Styptopur
  • p-Carboxybenzylamine
  • NSC 41629

Work with 4-(Aminomethyl)benzoic 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

Terephthalic acid100-21-063 % similar 3-Aminomethylbenzoic acid2393-20-663 % similar 4-(Hydroxymethyl)benzoic acid3006-96-062 % similar 4-Hydroxymethylbenzoic acid96937-45-062 % similar 4-(Chloromethyl)benzoic acid1642-81-560 % similar 4-Ethylbenzoic acid619-64-760 % similar 4-(Bromomethyl)benzoic acid6232-88-860 % similar 4-Propylbenzoic acid2438-05-358 % 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 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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