Home Nitriles Azepan-1-yl(phenyl)acetonitrile

Azepan-1-yl(phenyl)acetonitrile

CAS No.:
17766-41-5
Catalog Number:
AG00AVYE
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00AVYE
Chemical Name:
Azepan-1-yl(phenyl)acetonitrile
CAS Number:
17766-41-5
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
MDL Number:
MFCD12026894
IUPAC Name:
2-(azepan-1-yl)-2-phenylacetonitrile
InChI:
InChI=1S/C14H18N2/c15-12-14(13-8-4-3-5-9-13)16-10-6-1-2-7-11-16/h3-5,8-9,14H,1-2,6-7,10-11H2
InChI Key:
MDTVIWLDOORMEX-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)N1CCCCCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties