Methyl 2-amino-5-methoxybenzoate

C₉H₁₁NO₃CAS 2475-80-1181.19 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
logP: 1.06Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

2475-80-1

SMILES

COC1=CC(=C(C=C1)N)C(=O)OC

InChIKey

MOVBJUGHBJJKOW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 2-amino-5-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 5-methylanthranilate18595-16-967 % similar Methyl 5-hydroxyanthranilate1882-72-065 % similar Methyl 5-methoxysalicylate2905-82-065 % similar Methyl 2-amino-5-fluorobenzoate319-24-465 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-365 % similar Methyl 2-amino-5-chlorobenzoate5202-89-165 % similar Methyl 2-amino-5-bromobenzoate52727-57-865 % similar Methyl 2-amino-5-iodobenzoate77317-55-665 % 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 3-amino-4-methoxybenzoate24812-90-6

Elsewhere

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