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phenylpropanonitrile

Properties

Image

Occurences in reactions

MNX_ID

MNXM101882

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₉H₉N

charge

mass

131.0735

reference

InChIKey

ACRWYXSKEHUQDB-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

SMILES

N#CCCc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85426 chebi:85426	phenylpropanonitrile (2-cyanoethyl)benzene 1-phenyl-2-cyanoethane 2-phenylethyl cyanide 3-phenylpropanenitrile 3-phenylpropionitrile 3-phenylpropiononitrile benzenepropanenitrile benzenepropionitrile beta-phenyl propionitrile beta-phenylethyl cyanide hydrocinnamique nitrile hydrocinnamonitrile phenylpropionitrile
seed.compound:cpd32846 seedM:cpd32846	2-phenylethyl cyanide 3-phenylpropanonitril 3-phenylpropionitrile benzenepropanenitrile
sabiork.compound:31097 sabiorkM:31097	3-Phenylpropionitrile Benzenepropanenitrile
metacyc.compound:CPD-14673 metacycM:CPD-14673	3-phenylpropionitrile 2-phenylethyl cyanide 3-phenylpropanonitril benzenepropanenitrile
hmdb:HMDB0034236	Benzenepropanenitrile (2-Cyanoethyl)benzene 1-Cyano-2-phenylethane 1-Phenyl-2-cyanoethane 2-Phenylethyl cyanide 3-Phenylpropanenitrile 3-Phenylpropanonitril 3-Phenylpropionitrile 3-Phenylpropiononitrile 3-phenylpropanenitrile Benzenepropanitrile Benzenepropionitrile Hydrocinnamique nitrile Hydrocinnamonitrile Phenethyl cyanide Phenylpropanonitrile Phenylpropionitrile b-Phenyl propionitrile b-Phenylethyl cyanide benzylacetonitrile beta-Phenyl propionitrile beta-Phenylethyl cyanide beta-Phenylpropionitrile beta-phenyl propionitrile beta-phenylethyl cyanide
sabiork.compound:20895 sabiorkM:20895	Z-3-Phenylpropiononitrile
hmdb:HMDB34236 seedM:M_cpd32846	secondary/obsolete/fantasy identifier