Home Nitriles 3-(Piperidinocarbonyl)benzonitrile

3-(Piperidinocarbonyl)benzonitrile

CAS No.:
1003647-40-2
Catalog Number:
AG00H97M
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$563
- +
10g
96%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG00H97M
Chemical Name:
3-(Piperidinocarbonyl)benzonitrile
CAS Number:
1003647-40-2
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD09944120
IUPAC Name:
3-(piperidine-1-carbonyl)benzonitrile
InChI:
InChI=1S/C13H14N2O/c14-10-11-5-4-6-12(9-11)13(16)15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2
InChI Key:
VLJJHOCXGISZMY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)N1CCCCC1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties