chempirical

α-Amino-p-nitroacetophenone hydrochloride

C8H9ClN2O3CAS 5425-81-0216.62 g/mol

Open in Covalent MOL file
HClH2NON+OO−
KetoneNitroPrimary amine

Properties

Molecular formula
C8H9ClN2O3
Molar mass
216.62 g/mol
Exact mass
216.0302 Da
Melting point
250 °C (decomposes)
logP
1.16Crippen estimate
Polar surface area
86.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
5425-81-0
SMILES
Cl.NCC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
UJBOVJRECBNSDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O3.ClH/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;/h1-4H,5,9H2;1H

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Names and synonyms

9 names
  • Ethanone, 2-amino-1-(4-nitrophenyl)-, hydrochloride (1:1)
  • Acetophenone, 2-amino-4′-nitro-, monohydrochloride
  • Ethanone, 2-amino-1-(4-nitrophenyl)-, monohydrochloride
  • Acetophenone, 2-amino-4′-nitro-, hydrochloride
  • α-Amino-4′-nitroacetophenone hydrochloride
  • 2-Amino-4′-nitroacetophenone hydrochloride
  • 4′-Nitro-2-aminoacetophenone hydrochloride
  • 2-Amino-1-(4-nitrophenyl)ethanone hydrochloride
  • 2-Amino-1-(4-nitrophenyl)ethan-1-one hydrochloride

Work with α-Amino-p-nitroacetophenone 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

4-Nitrophenacyl bromide99-81-061 % similar 2-Aminoacetophenone hydrochloride5468-37-157 % similar p-Nitrobenzylamine hydrochloride18600-42-555 % similar α-Amino-p-chloroacetophenone hydrochloride5467-71-055 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-155 % similar 4-Nitrobenzamidine hydrochloride15723-90-755 % similar 4-Nitrobenzamide619-80-754 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-354 % similar

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

Elsewhere

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