2-(3,4-Dichlorophenyl)-2-oxoethylamine hydrochloride

C₈H₈Cl₃NOCAS 41995-19-1240.51 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₈H₈Cl₃NO
Molar mass: 240.51 g/mol
Exact mass: 238.9671 Da
logP: 2.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

41995-19-1

SMILES

C1=CC(=C(C=C1C(=O)CN)Cl)Cl.Cl

InChIKey

IDRFAFYEURFRFD-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3H,4,11H2;1H

Weigh it out

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

Work with 2-(3,4-Dichlorophenyl)-2-oxoethylamine 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

2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-860 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-258 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-958 % similar 2-Aminoacetophenone hydrochloride5468-37-156 % similar 2-Amino-4'-fluoroacetophenone hydrochloride456-00-854 % similar 3,4-Dichlorobenzoylacetonitrile4640-68-054 % similar 3,4-Dichlorobenzamide2670-38-451 % similar 3-Nitrophenacylamine hydrochloride36765-84-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook