Home Nitriles 4-(2-Cyanoethyl)-4-(pyridine-2-carbonyl)heptanedinitrile

4-(2-Cyanoethyl)-4-(pyridine-2-carbonyl)heptanedinitrile

CAS No.:
865074-41-5
Catalog Number:
AG01EXX9
Molecular Formula:
C16H16N4O
Molecular Weight:
280.3244
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$225
- +
1g
98%
1 week
United States
$607
- +
Product Description
Catalog Number:
AG01EXX9
Chemical Name:
4-(2-Cyanoethyl)-4-(pyridine-2-carbonyl)heptanedinitrile
CAS Number:
865074-41-5
Molecular Formula:
C16H16N4O
Molecular Weight:
280.3244
MDL Number:
MFCD06637862
IUPAC Name:
4-(2-cyanoethyl)-4-(pyridine-2-carbonyl)heptanedinitrile
InChI:
InChI=1S/C16H16N4O/c17-10-3-7-16(8-4-11-18,9-5-12-19)15(21)14-6-1-2-13-20-14/h1-2,6,13H,3-5,7-9H2
InChI Key:
RJCWYEHQNPWOBH-UHFFFAOYSA-N
SMILES:
N#CCCC(C(=O)c1ccccn1)(CCC#N)CCC#N
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.132g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.331g/mol
Monoisotopic Mass:
280.132g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties