N-(4-Aminobenzoyl)-beta-alanine
Properties
- Molecular formula
- C10H12N2O3
- Molar mass
- 208.22 g/mol
- Exact mass
- 208.0848 Da
- Melting point
- 148–149 °C
- logP
- 0.47Crippen estimate
- Polar surface area
- 92.4 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 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
7377-08-4SMILES
Nc1ccc(C(=O)NCCC(=O)O)cc1InChIKey
VHAXWROFYVPXMZ-UHFFFAOYSA-NInChI
InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- N-(4-Aminobenzoyl)-β-alanine
- β-Alanine, N-(4-aminobenzoyl)-
- β-Alanine, N-(p-aminobenzoyl)-
- p-Amino-N-benzoyl-β-alanine
- 3-(4-Aminobenzoylamino)propionic acid
- 3-[(4-Aminobenzoyl)amino]propanoic acid
- 3-[(4-Aminophenyl)formamido]propanoic acid
Work with N-(4-Aminobenzoyl)-beta-alanine
Similar compounds
p-Aminohippuric acid61-78-972 % similar
4-Amino-N-(2-hydroxyethyl)benzamide54472-45-665 % similar
N-(4-Nitrobenzoyl)-beta-alanine59642-21-660 % similar
N-(4-Aminobenzoyl)-L-glutamic acid4271-30-158 % similar
3-(4-Aminophenyl)propionic acid2393-17-154 % similar
4-(4-Aminophenyl)butanoic acid15118-60-251 % similar
Procainamide hydrochloride614-39-150 % similar
Balsalazide80573-04-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds