Methyl 4-amino-3-methoxybenzoate

C₉H₁₁NO₃CAS 41608-64-4181.19 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₉H₁₁NO₃
Molar mass: 181.19 g/mol
Exact mass: 181.0739 Da
Melting point: 127–129 °C
logP: 1.06Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% 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

41608-64-4

SMILES

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

InChIKey

DJLFOMMCQBAMAA-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,10H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 4-amino-3-methoxy-, methyl ester
4-Amino-3-methoxybenzoic acid methyl ester

Work with Methyl 4-amino-3-methoxybenzoate

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-methoxybenzoate24812-90-676 % similar Methyl 3,4-dimethoxybenzoate2150-38-173 % similar Methyl 3,4-diaminobenzoate36692-49-673 % similar Methyl 4-amino-3-methylbenzoate18595-14-767 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-067 % 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.

All similar compounds

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1

Elsewhere

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