Methyl 3-amino-4-methoxybenzoate

C9H11NO3CAS 24812-90-6181.19 g/mol

Open in Covalent MOL file
OOONH2
EsterEtherPrimary amine

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
Melting point
83–85 °C
logP
1.06Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
24812-90-6
SMILES
COC(=O)c1ccc(OC)c(N)c1
InChIKey
QVDWKLDUBSJEOG-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,10H2,1-2H3

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Names and synonyms

5 names
  • Benzoic acid, 3-amino-4-methoxy-, methyl ester
  • p-Anisic acid, 3-amino-, methyl ester
  • 3-Amino-4-methoxybenzoic acid methyl ester
  • Methyl 4-methoxy-3-aminobenzoate
  • 2-Methoxy-5-methoxycarbonylaniline

Work with Methyl 3-amino-4-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 4-amino-3-methoxybenzoate41608-64-476 % similar Methyl 3,4-dimethoxybenzoate2150-38-173 % similar Methyl 3,4-diaminobenzoate36692-49-673 % similar Dimethyl 3-aminoterephthalate5372-81-671 % similar Methyl 3-amino-4-methylbenzoate18595-18-167 % similar Methyl 3-iodo-4-methoxybenzoate35387-93-065 % similar Methyl 3-bromo-4-methoxybenzoate35450-37-465 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-665 % 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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