Home Nitriles 2-Phenylbutanenitrile

2-Phenylbutanenitrile

CAS No.:
769-68-6
Catalog Number:
AG003HVC
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
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Purity
Availability
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Quantity
  
1g
95%
In Stock USA
United States
$116
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Product Description
Catalog Number:
AG003HVC
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
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  
Properties