4-Amino-3-methylbenzoic acid
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Melting point
- 169–170 °C
- logP
- 1.28Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
2486-70-6SMILES
Cc1cc(C(=O)O)ccc1NInChIKey
NHFKECPTBZZFBC-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 4-amino-3-methyl-
- m-Toluic acid, 4-amino-
- 3-Methyl-4-aminobenzoic acid
- NSC 227945
- BTS 28369
- 4-Amino-5-methylbenzoic acid
Work with 4-Amino-3-methylbenzoic acid
Similar compounds
3-Amino-4-methylbenzoic acid2458-12-075 % similar
3,4-Dimethylbenzoic acid619-04-568 % similar
3,4-Diaminobenzoic acid619-05-668 % similar
4-Amino-3-iodobenzoic acid2122-63-665 % similar
2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar
4-Amino-3-hydroxybenzoic acid2374-03-062 % similar
4-Hydroxy-3-methylbenzoic acid499-76-362 % similar
4-Iodo-3-methylbenzoic acid52107-87-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.