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

C8H8Cl3NOCAS 41995-19-1240.51 g/mol

Open in Covalent MOL file
OH2NClClHCl
Aryl halideKetonePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

α-Amino-p-chloroacetophenone hydrochloride5467-71-063 % similar 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'-chloroacetophenone7644-03-354 % similar 2-Amino-4'-fluoroacetophenone hydrochloride456-00-854 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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