2-Aminoacetophenone hydrochloride

C8H10ClNOCAS 5468-37-1171.62 g/mol

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HClH2NO
KetonePrimary amine

Properties

Molecular formula
C8H10ClNO
Molar mass
171.62 g/mol
Exact mass
171.0451 Da
Melting point
183–184 °C
logP
1.25Crippen 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
5468-37-1
SMILES
Cl.NCC(=O)c1ccccc1
InChIKey
CVXGFPPAIUELDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H

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Names and synonyms

7 names
  • Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
  • Ethanone, 2-amino-1-phenyl-, hydrochloride
  • Acetophenone, 2-amino-, hydrochloride
  • Phenacylamine hydrochloride
  • α-Aminoacetophenone hydrochloride
  • 2-Amino-1-phenyl-1-ethanone hydrochloride
  • 2-Amino-1-phenylethanone hydrochloride

Reactions

Work with 2-Aminoacetophenone 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-Aminoacetophenone613-89-8Free base

Similar compounds

2-Amino-4'-fluoroacetophenone hydrochloride456-00-867 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-067 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-167 % similar 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-161 % similar Dibenzoylmethane120-46-758 % similar 1,4-Diphenyl-1,4-butanedione495-71-658 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-057 % similar 2-Amino-4'-fluoroacetophenone369-43-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-methoxybenzenemethanamine115514-77-7 2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-6 1-(2-Aminophenyl)ethan-1-one hydrochloride25384-14-9 2-(2-Chlorophenoxy)ethylamine26378-53-0 4-Chloro-2-methoxy-5-methylaniline6376-14-3 (βS)-β-Amino-3-chlorobenzeneethanol663611-73-2

Elsewhere

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