α-Amino-p-chloroacetophenone hydrochloride

C8H9Cl2NOCAS 5467-71-0206.07 g/mol

Open in Covalent MOL file
HClH2NOCl
Aryl halideKetonePrimary amine

Properties

Molecular formula
C8H9Cl2NO
Molar mass
206.07 g/mol
Exact mass
205.0061 Da
Melting point
290 °C
logP
1.90Crippen 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
5467-71-0
SMILES
Cl.NCC(=O)c1ccc(Cl)cc1
InChIKey
OVKMQHKVUWBLSV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H

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Names and synonyms

10 names
  • Ethanone, 2-amino-1-(4-chlorophenyl)-, hydrochloride (1:1)
  • Acetophenone, 2-amino-4′-chloro-, hydrochloride
  • Ethanone, 2-amino-1-(4-chlorophenyl)-, hydrochloride
  • 2-Amino-1-(4-chlorophenyl)-1-ethanone hydrochloride
  • α-Amino-4′-chloroacetophenone hydrochloride
  • 2-Amino-1-(4-chlorophenyl)ethanone hydrochloride
  • 2-Amino-4′-chloroacetophenone hydrochloride
  • α-Amino-4-chloroacetophenone hydrochloride
  • p-Chlorophenacylamine hydrochloride
  • 2-Amino-1-(4-chlorophenyl)ethan-1-one hydrochloride

Work with α-Amino-p-chloroacetophenone 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.

2-Amino-4'-chloroacetophenone7644-03-3Free base

Similar compounds

2-Aminoacetophenone hydrochloride5468-37-167 % similar 2-Amino-4'-fluoroacetophenone hydrochloride456-00-864 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-164 % similar 2-(3,4-Dichlorophenyl)-2-oxoethylamine hydrochloride41995-19-163 % similar 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-158 % similar 2-Aminoacetophenone613-89-857 % similar 2,4′-Dichloroacetophenone937-20-256 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

D-(-)-2-Amino-2-phenylacetyl chloride hydrochloride39878-87-0

Elsewhere

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