Home Nitriles Azepan-1-yl(cyclopentyl)acetonitrile

Azepan-1-yl(cyclopentyl)acetonitrile

CAS No.:
1119449-72-7
Catalog Number:
AG008VKW
Molecular Formula:
C13H22N2
Molecular Weight:
206.3272
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG008VKW
Chemical Name:
Azepan-1-yl(cyclopentyl)acetonitrile
CAS Number:
1119449-72-7
Molecular Formula:
C13H22N2
Molecular Weight:
206.3272
MDL Number:
MFCD12026893
IUPAC Name:
2-(azepan-1-yl)-2-cyclopentylacetonitrile
InChI:
InChI=1S/C13H22N2/c14-11-13(12-7-3-4-8-12)15-9-5-1-2-6-10-15/h12-13H,1-10H2
InChI Key:
MDVRVFBOHNBGHG-UHFFFAOYSA-N
SMILES:
N#CC(C1CCCC1)N1CCCCCC1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.178g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.333g/mol
Monoisotopic Mass:
206.178g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties