2-Carbomethoxy-6-methylaniline

C₉H₁₁NO₂CAS 22223-49-0165.19 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
Boiling point: 83 °C (at 0.05 Torr)
logP: 1.36Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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

22223-49-0

SMILES

COC(=O)c1cccc(C)c1N

InChIKey

VSFYTPXXMLJNAU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 2-amino-3-methyl-, methyl ester
m-Toluic acid, 2-amino-, methyl ester
3-Methylanthranilic acid methyl ester
Methyl 3-methylanthranilate
Methyl 2-amino-3-methylbenzoate
2-Amino-3-methyl-benzoic acid methyl ester

Work with 2-Carbomethoxy-6-methylaniline

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

Methyl 2-methylbenzoate89-71-469 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-768 % similar Methyl 2-amino-3-chlorobenzoate77820-58-766 % similar Methyl 2-bromo-3-methylbenzoate131001-86-064 % similar Methyl o-cresotinate23287-26-564 % similar Methyl 2-amino-3-methoxybenzoate5121-34-664 % similar Methyl 2-fluoro-3-methylbenzoate586374-04-164 % similar 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-762 % 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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