Home Nitriles 4-tert-butylcyclohexane-1-carbonitrile

4-tert-butylcyclohexane-1-carbonitrile

CAS No.:
31865-37-9
Catalog Number:
AG019RSA
Molecular Formula:
C11H19N
Molecular Weight:
165.2753
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Product Description
Catalog Number:
AG019RSA
Chemical Name:
4-tert-butylcyclohexane-1-carbonitrile
CAS Number:
31865-37-9
Molecular Formula:
C11H19N
Molecular Weight:
165.2753
MDL Number:
MFCD09046634
IUPAC Name:
4-tert-butylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C11H19N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10H,4-7H2,1-3H3
InChI Key:
UWGIZGGCJCFYKA-UHFFFAOYSA-N
SMILES:
N#CC1CCC(CC1)C(C)(C)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.152g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.28g/mol
Monoisotopic Mass:
165.152g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Cyclic nitriles: diastereoselective alkylations. The Journal of organic chemistry 20050513
Properties