3-Amino-4-methylbenzoic acid
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Melting point
- 162 °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 irritation97.8% of notifiers
Aggregated from 46 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
2458-12-0SMILES
Cc1ccc(C(=O)O)cc1NInChIKey
XKFIFYROMAAUDL-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(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
- NSC 597
- Benzoic acid, 3-amino-4-methyl-
- p-Toluic acid, 3-amino-
- 2-Toluidine-4-carboxylic acid
- 4-Methyl-3-aminobenzoic acid
- NSC 127033
Work with 3-Amino-4-methylbenzoic acid
Similar compounds
4-Amino-3-methylbenzoic acid2486-70-675 % similar
3,4-Dimethylbenzoic acid619-04-568 % similar
3,4-Diaminobenzoic acid619-05-668 % similar
2-Aminoterephthalic acid10312-55-766 % similar
2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-166 % similar
3-Amino-4-hydroxybenzoic acid1571-72-862 % similar
3-Hydroxy-4-methylbenzoic acid586-30-162 % similar
3-Iodo-4-methylbenzoic acid82998-57-062 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.