Home Nitriles 2,2-dicyclopentyl-2-(pyridin-4-yl)acetonitrile

2,2-dicyclopentyl-2-(pyridin-4-yl)acetonitrile

CAS No.:
1955554-06-9
Catalog Number:
AG01B57U
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
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Product Description
Catalog Number:
AG01B57U
Chemical Name:
2,2-dicyclopentyl-2-(pyridin-4-yl)acetonitrile
CAS Number:
1955554-06-9
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
MDL Number:
MFCD29991960
IUPAC Name:
2,2-dicyclopentyl-2-pyridin-4-ylacetonitrile
InChI:
InChI=1S/C17H22N2/c18-13-17(14-5-1-2-6-14,15-7-3-4-8-15)16-9-11-19-12-10-16/h9-12,14-15H,1-8H2
InChI Key:
LOZAFSQJSPBMFU-UHFFFAOYSA-N
SMILES:
N#CC(c1ccncc1)(C1CCCC1)C1CCCC1
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.178g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.377g/mol
Monoisotopic Mass:
254.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties