Home Nitriles Trans-4-(4-ethylcyclohexyl)benzonitrile

Trans-4-(4-ethylcyclohexyl)benzonitrile

CAS No.:
72928-54-2
Catalog Number:
AG003E90
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$237
- +
Product Description
Catalog Number:
AG003E90
Chemical Name:
Trans-4-(4-ethylcyclohexyl)benzonitrile
CAS Number:
72928-54-2
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
MDL Number:
MFCD09750932
IUPAC Name:
4-(4-ethylcyclohexyl)benzonitrile
InChI:
InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChI Key:
BBHJTCADCKZYSO-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#N
EC Number:
277-084-2
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties