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Substance
ID:1827632
Structure
Similarity
Functional Group
Text
ID:89841
phenylacetonitrile
Chemical Entities of Biological Interest
ID: CHEBI:25979
Names and Identifiers
IUPAC Traditional name
phenylacetonitrile
IUPAC name
2-phenylacetonitrile
Synonyms
phenylacetonitrile
(cyanomethyl)benzene
2-phenylacetonitrile
Benzyl cyanide
alpha-cyanotoluene
alpha-tolunitrile
benzeneacetonitrile
benzyl cyanide
benzyl nitrile
phenylacetonitrile
Registration numbers
Beilstein Number
385941
CAS Number
140-29-4
PubChem CID
8794
KEGG ID
C16074
KNApSAcK Database
C00007674
PubMed Citation Links
12770022
21377400
21452001
20882316
20490899
20411403
19215138
Reaxys Registry
385941
ACToR Database
140-29-4
BKMS React Database
198483
2160
24199
100135
25590
124287
BRENDA Database
1.14.14.77
3.5.5.5
4.2.1.1
3.5.5.1
1.4.3.4
4.2.1.84
1.14.14.44
4.8.1.4
4.8.1.2
1.14.14.41
3.2.1.21
3.5.5.7
1.14.12.26
BRENDA Ligand Database
25590
24199
124287
198483
100135
2160
CHEMBL
CHEMBL3560735
CompTox Database
DTXSID2021492
MetaboLights Database
MTBLS2406
MTBLS1693
MTBLS3854
MTBLS3950
MTBLS272
MTBLS630
MTBLS2224
SABIO-RK Database
6866
SureChEMBL Database
SCHEMBL37831
UniProt Database
Q89PT3
P82604
IntEnz Database
EC 4.99.1.7
EC 1.14.14.77
Rhea Database
RHEA:20069
RHEA:52164
RHEA:69308
NMRShiftDB Database
10005923
Patent number
EP1721889
WO2005097758
US2005214807
WO2005016882
US2004063904
US2005288486
WO2006118955
EP1757597
US2003208086
US2005176822
WO2006111289
EnzymePortal Database
P82604
DrugBank ID
DB04817
Gmelin ID
68893
UM-BBD compID
c0647
CHEBI ID
CHEBI:25979
PubChem SID
11533426
Properties
No Data Available
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Molecule Details
A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.
Molecular Spectra
No Data Available
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References
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Registration numbers
Properties
Molecule Details
Molecular Spectra
References