Home Nitriles 1-cyclohexylcyclohexane-1-carbonitrile

1-cyclohexylcyclohexane-1-carbonitrile

CAS No.:
113777-31-4
Catalog Number:
AG01BGMH
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
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Product Description
Catalog Number:
AG01BGMH
Chemical Name:
1-cyclohexylcyclohexane-1-carbonitrile
CAS Number:
113777-31-4
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
MDL Number:
MFCD19301841
IUPAC Name:
1-cyclohexylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H21N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h12H,1-10H2
InChI Key:
BEHIDVHWDQNWQN-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)C1CCCCC1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties