Methyl 3-(aminomethyl)benzoate hydrochloride

C₉H₁₂ClNO₂CAS 17841-68-8201.65 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₂ClNO₂
Molar mass: 201.65 g/mol
Exact mass: 201.0557 Da
logP: 1.35Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

17841-68-8

SMILES

COC(=O)C1=CC=CC(=C1)CN.Cl

InChIKey

UOWRPTFJISFGPI-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H

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

Work with Methyl 3-(aminomethyl)benzoate hydrochloride

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

Dimethyl isophthalate1459-93-460 % similar 3-(Aminomethyl)benzoic acid hydrochloride876-03-959 % similar Methyl 3-aminobenzoate4518-10-955 % similar m-Chlorobenzoic acid methyl ester2905-65-953 % similar Methyl 3-bromobenzoate618-89-353 % similar Methyl 3-hydroxybenzoate19438-10-951 % similar Methyl m-methoxybenzoate5368-81-051 % similar Methyl 3-iodobenzoate618-91-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

H-Phg-ome hcl15028-39-4 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-3

Elsewhere

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