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CHEBI:85426 - 3-phenylpropionitrile
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ChEBI Ontology
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ChEBI Name
3-phenylpropionitrile
ChEBI ID
CHEBI:85426
Definition
A nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C9H9N
Net Charge
0
Average Mass
131.17450
Monoisotopic Mass
131.07350
InChI
InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChIKey
ACRWYXSKEHUQDB-UHFFFAOYSA-N
SMILES
N#CCCc1ccccc1
Metabolite of Species
Details
Brassica rapa
(NCBI:txid3711)
Found in aerial part
(BTO:0001658)
. See:
PubMed
ChEBI Ontology
Outgoing
3-phenylpropionitrile (
CHEBI:85426
)
has functional parent
acetonitrile (
CHEBI:38472
)
3-phenylpropionitrile (
CHEBI:85426
)
is a
benzenes (
CHEBI:22712
)
3-phenylpropionitrile (
CHEBI:85426
)
is a
nitrile (
CHEBI:18379
)
Incoming
3-hydroxy-3-phenylpropionitrile (
CHEBI:189864
)
has functional parent
3-phenylpropionitrile (
CHEBI:85426
)
IUPAC Name
3-phenylpropanenitrile
Synonyms
Sources
(2-cyanoethyl)benzene
ChemIDplus
1-phenyl-2-cyanoethane
NIST Chemistry WebBook
2-phenylethyl cyanide
NIST Chemistry WebBook
3-phenylpropiononitrile
NIST Chemistry WebBook
benzenepropanenitrile
ChemIDplus
benzenepropionitrile
NIST Chemistry WebBook
β-phenyl propionitrile
NIST Chemistry WebBook
β-phenylethyl cyanide
NIST Chemistry WebBook
hydrocinnamique nitrile
ChemIDplus
hydrocinnamonitrile
NIST Chemistry WebBook
phenylpropanonitrile
UniProt
phenylpropionitrile
NIST Chemistry WebBook
Registry Numbers
Types
Sources
636348
Reaxys Registry Number
Reaxys
645-59-0
CAS Registry Number
ChemIDplus
645-59-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
11826962
PubMed citation
Europe PMC
19637256
PubMed citation
Europe PMC
19849791
PubMed citation
SUBMITTER
22698371
PubMed citation
Europe PMC
24264910
PubMed citation
Europe PMC
24919480
PubMed citation
Europe PMC
Last Modified
28 March 2022