Methyl 4-amino-3-methylbenzoate

C₉H₁₁NO₂CAS 18595-14-7165.19 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
Melting point: 62–62.5 °C
logP: 1.36Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

18595-14-7

SMILES

COC(=O)c1ccc(N)c(C)c1

InChIKey

ZHIPSMIKSRYZFV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

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

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 3-amino-4-methylbenzoate18595-18-176 % similar Methyl 3,4-dimethylbenzoate38404-42-170 % 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-hydroxybenzoate63435-16-565 % similar 4-Chloro-3-methylbenzoic acid methyl ester91367-05-464 % similar Methyl 3-amino-4-methoxybenzoate24812-90-662 % 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 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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