Home Nitriles 3-Methyl-2-phenylbutanenitrile

3-Methyl-2-phenylbutanenitrile

CAS No.:
5558-29-2
Catalog Number:
AG003HHK
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$55
- +
250mg
95%
In Stock USA
United States
$105
- +
1g
95%
In Stock USA
United States
$210
- +
5g
95%
In Stock USA
United States
$630
- +
Product Description
Catalog Number:
AG003HHK
Chemical Name:
3-Methyl-2-phenylbutanenitrile
CAS Number:
5558-29-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00019805
IUPAC Name:
3-methyl-2-phenylbutanenitrile
InChI:
InChI=1S/C11H13N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3
InChI Key:
IAZOLAFPWWQXGU-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1)C#N)C
NSC Number:
68330
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties