Methyl 3-amino-2-methylbenzoate

C₉H₁₁NO₂CAS 18583-89-6165.19 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
logP: 1.36Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 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

18583-89-6

SMILES

CC1=C(C=CC=C1N)C(=O)OC

InChIKey

ZOOQFAUFPWXUMI-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,10H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Amino-2-methylbenzoic acid methyl ester

Work with Methyl 3-amino-2-methylbenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Diaminobenzoic acid methyl ester107582-20-773 % similar Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-173 % similar Methyl anthranilate134-20-372 % similar Methyl 3-amino-2-fluorobenzoate1195768-18-369 % similar Methyl 3-hydroxy-2-methylbenzoate55289-05-964 % similar 2-Carbomethoxy-6-methylaniline22223-49-061 % similar Methyl 5-methylanthranilate18595-16-959 % similar Methyl 2-amino-3-methoxybenzoate5121-34-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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