3-Nitrophenacylamine hydrochloride

C₈H₉ClN₂O₃CAS 36765-84-1216.62 g/mol

Open in Covalent MOL file

Ketone Nitro Primary amine

Properties

Molecular formula: C₈H₉ClN₂O₃
Molar mass: 216.62 g/mol
Exact mass: 216.0302 Da
logP: 1.16Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

36765-84-1

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CN.Cl

InChIKey

BRFUJSROKAAPJT-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O3.ClH/c9-5-8(11)6-2-1-3-7(4-6)10(12)13;/h1-4H,5,9H2;1H

Weigh it out

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

Work with 3-Nitrophenacylamine 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

1-(3-Nitrophenyl)-1-propanone17408-16-164 % similar 2-Aminoacetophenone hydrochloride5468-37-155 % similar 2-(3,4-Dichlorophenyl)-2-oxoethylamine hydrochloride41995-19-150 % similar 2,2,2-Trifluoro-1-(3-nitrophenyl)ethanone657-15-850 % similar 1,3-Dinitrobenzene99-65-049 % similar 2-Aminoacetophenone613-89-847 % similar 2-Amino-5-nitrobenzophenone1775-95-744 % similar 2-Chloro-5-nitrobenzophenone34052-37-444 % similar

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

Same formula

α-Amino-p-nitroacetophenone hydrochloride5425-81-0

Elsewhere

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