Methyl 3-amino-4-methylbenzoate
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- Melting point
- 114.5–115.2 °C
- logP
- 1.36Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation95.7% of notifiers
- H319 Causes serious eye irritation95.7% of notifiers
- H335 May cause respiratory irritation93.5% 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
18595-18-1SMILES
COC(=O)c1ccc(C)c(N)c1InChIKey
YEPWCJHMSVABPQ-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-amino-4-methyl-, methyl ester
- p-Toluic acid, 3-amino-, methyl ester
- 3-Amino-4-methylbenzoic acid methyl ester
- NSC 356832
- 2-Methyl-5-methoxycarbonylaniline
- Methyl 3-amino-4-methylbenzoic acid
Work with Methyl 3-amino-4-methylbenzoate
Similar compounds
Methyl 4-amino-3-methylbenzoate18595-14-776 % similar
Methyl 3,4-diaminobenzoate36692-49-673 % similar
Dimethyl 3-aminoterephthalate5372-81-671 % similar
Methyl 3,4-dimethylbenzoate38404-42-170 % similar
Methyl 3-amino-4-iodobenzoate412947-54-769 % similar
Methyl 3-amino-4-methoxybenzoate24812-90-667 % similar
Methyl 3-methoxy-4-methylbenzoate3556-83-067 % similar
1-Methylethyl 3-amino-4-methylbenzoate21447-47-266 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.