Methyl 4-(aminomethyl)benzoate hydrochloride

C9H12ClNO2CAS 6232-11-7201.65 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
6232-11-7
SMILES
COC(=O)C1=CC=C(C=C1)CN.Cl
InChIKey
GIZCKBSSWNIUMZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H

Weigh it out

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

Work with Methyl 4-(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl 4-(aminomethyl)benzoate18469-52-8Free base

Similar compounds

Dimethyl terephthalate120-61-660 % similar Methyl 4-(bromomethyl)benzoate2417-72-358 % similar Methyl 4-(chloromethyl)benzoate34040-64-758 % similar Methyl 4-(hydroxymethyl)benzoate6908-41-458 % similar Methyl 4-(2-bromoethyl)benzoate136333-97-657 % similar 4-Methoxycarbonylmethyl-benzoic acid methyl ester52787-14-157 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-555 % similar Methyl 4-aminobenzoate619-45-454 % 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 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 N-Benzylglycine hydrochloride7689-50-1

Elsewhere

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