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769-68-6,MFCD00001876
Catalog No.:AA003HSK
769-68-6 | 2-Phenylbutanenitrile
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Technical Information
Catalog Number:
AA003HSK
Chemical Name:
2-Phenylbutanenitrile
CAS Number:
769-68-6
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00001876
IUPAC Name:
2-phenylbutanenitrile
InChI:
InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChI Key:
IZPUPXNVRNBDSW-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C#N
EC Number:
212-213-8
Properties
Computed Properties
 
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-Phenylbutanenitrile 
2-Phenylbutyronitrile 
MFCD00001876 
.alpha.-Phenylbutyronitrile 
Benzeneacetonitrile, alpha-ethyl- 
alpha-Phenylbutyronitrile 
NSC 2373 
DL-2-Phenylbutyronitrile 
EINECS 212-213-8 
NSC 11272 
2-phenyl-butyronitrile 
a-Ethylphenylacetonitrile 
769-68-6 
2-Phenylbutanenitrile # 
Butanenitrile, 2-phenyl 
AC1Q2RUP 
AC1L3U2X 
AC1Q4QQ3 
Benzeneacetonitrile, a-ethyl- 
SCHEMBL181368 
(+/-)-2-Phenylbutyronitrile 
benzeneacetonitrile, |A-ethyl- 
CTK5E3646 
2-Phenylbutanentrile 
NSC2373 
(.+/-.)-2-Phenylbutyronitrile 
Butyronitrile, 2-phenyl- (8CI) 
KS-00002BJ2 
NSC-2373 
NSC11272 
STR05239 
NSC-11272 
SBB068828 
AKOS009158137 
1-Cyano-1-phenylpropane 
VZ25160 
AN-16777 
FT-0613329 
ST50823985 
V1452 
S01-0340 
W-104332 
Phenyl-n-Butyronitrile,2- 
C10H11N 
CID95334 
Butanenitrile, 2-phenyl- 
AR-1E4929 
C10-H11-N 
BENZENEACETONITRILE, ?-ETHYL- 
69350-73-8 
81340-54-7 
Benzeneacetonitrile, .alpha.-ethyl- 
Butyronitrile, 2-phenyl- 
2-Phenylbutyronitrile, 95% 
IZPUPXNVRNBDSW-UHFFFAOYSA-N 
Literature
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