Home Nitriles Alpha-methylphenylacetonitrile

Alpha-methylphenylacetonitrile

CAS No.:
1823-91-2
Catalog Number:
AG0023MB
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$108
- +
5g
97%
In Stock USA
United States
$130
- +
25g
97%
In Stock USA
United States
$239
- +
Product Description
Catalog Number:
AG0023MB
Chemical Name:
Alpha-methylphenylacetonitrile
CAS Number:
1823-91-2
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00001871
IUPAC Name:
2-phenylpropanenitrile
InChI:
InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
InChI Key:
NVAOLENBKNECGF-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C#N
EC Number:
217-354-9
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases. Organic & biomolecular chemistry 20110421
Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10. BMC biotechnology 20110101
Lewis acid controlled regioselectivity in styrene hydrocyanation. Chemistry (Weinheim an der Bergstrasse, Germany) 20090907
Nickel/AlMe(2)Cl-catalysed carbocyanation of alkynes using arylacetonitriles. Chemical communications (Cambridge, England) 20090714
Utilization of arylaliphatic nitriles by haloalkaliphilic Halomonas nitrilicus sp. nov. isolated from soda soils. Applied microbiology and biotechnology 20081101
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Influence of different carboxy-terminal mutations on the substrate-, reaction- and enantiospecificity of the arylacetonitrilase from Pseudomonas fluorescens EBC191. Protein engineering, design & selection : PEDS 20070801
Kinetics of the reaction between 2-phenylpropionitrile and 2-chloro-5-nitrotrifluoromethylbenzene under phase-transfer catalysis. The Journal of organic chemistry 20050610
Selective mono-C-methylations of arylacetonitriles and arylacetates with dimethylcarbonate: a mechanistic investigation. The Journal of organic chemistry 20020222
Enhancement of enzyme activity and enantioselectivity via cultivation in nitrile metabolism by Rhodococcus sp. CGMCC 0497. Biotechnology and applied biochemistry 20020201
Properties