Home Nitriles 4-tert-Butylphenylacetonitrile

4-tert-Butylphenylacetonitrile

CAS No.:
3288-99-1
Catalog Number:
AG003M2B
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$28
- +
100g
98%
In Stock USA
United States
$88
- +
500g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG003M2B
Chemical Name:
4-tert-Butylphenylacetonitrile
CAS Number:
3288-99-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD00128112
IUPAC Name:
2-(4-tert-butylphenyl)acetonitrile
InChI:
InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3
InChI Key:
QKJPXROEIJPNHG-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)C(C)(C)C
EC Number:
221-944-1
UNII:
JJV56A2CNJ
NSC Number:
85354
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties