chempirical

α-Amino-p-bromoacetophenone hydrochloride

C8H9BrClNOCAS 5467-72-1250.52 g/mol

Open in Covalent MOL file
HClH2NOBr
Aryl halideKetonePrimary amine

Properties

Molecular formula
C8H9BrClNO
Molar mass
250.52 g/mol
Exact mass
248.9556 Da
Melting point
258–259 °C (decomposes)
logP
2.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
5467-72-1
SMILES
Cl.NCC(=O)c1ccc(Br)cc1
InChIKey
ROAVTVXTYFSQEA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H

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

Names and synonyms

8 names
  • Ethanone, 2-amino-1-(4-bromophenyl)-, hydrochloride (1:1)
  • Acetophenone, 2-amino-4′-bromo-, hydrochloride
  • Ethanone, 2-amino-1-(4-bromophenyl)-, hydrochloride
  • 2-Amino-4′-bromoacetophenone hydrochloride
  • N-p-Bromophenacylamine hydrochloride
  • 2-Amino-1-(4-bromophenyl)ethanone hydrochloride
  • 2-Amino-1-(4-bromophenyl)ethan-1-one hydrochloride
  • 2-(4-Bromophenyl)-2-oxoethan-1-aminium chloride

Work with α-Amino-p-bromoacetophenone 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-Aminoacetophenone hydrochloride5468-37-167 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-064 % similar 2-Aminoacetophenone613-89-857 % similar 4-Bromophenacyl bromide99-73-056 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-055 % similar 4′-Bromopropiophenone10342-83-355 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-355 % similar 1-(4-Bromophenyl)-2-phenylethanone2001-29-854 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook