Methyl 4-amino-3-methylbenzoate
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- Melting point
- 62–62.5 °C
- logP
- 1.36Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed16.7% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18595-14-7SMILES
COC(=O)c1ccc(N)c(C)c1InChIKey
ZHIPSMIKSRYZFV-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 4-amino-3-methyl-, methyl ester
- m-Toluic acid, 4-amino-, methyl ester
- (4-(Methoxycarbonyl)-2-methylphenyl)amine
- Methyl 3-methyl-4-aminobenzoate
- 4-Amino-3-methylbenzoic acid methyl ester
Work with Methyl 4-amino-3-methylbenzoate
Similar compounds
Methyl 3-amino-4-methylbenzoate18595-18-176 % similar
Methyl 3,4-diaminobenzoate36692-49-673 % similar
Methyl 3,4-dimethylbenzoate38404-42-170 % similar
Methyl 4-amino-3-iodobenzoate19718-49-169 % similar
Methyl 4-amino-3-methoxybenzoate41608-64-467 % similar
Dimethyl 3-aminoterephthalate5372-81-666 % similar
Methyl 4-amino-3-bromobenzoate106896-49-565 % similar
Methyl-4-amino-3-fluorobenzoate185629-32-765 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.