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Home Nitriles Hexadecanenitrile

Hexadecanenitrile

CAS No.:
629-79-8
Catalog Number:
AG0038KZ
Molecular Formula:
C16H31N
Molecular Weight:
237.4240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$392
- +
250mg
95%
In Stock USA
United States
$653
- +
Product Description
Catalog Number:
AG0038KZ
Chemical Name:
Hexadecanenitrile
CAS Number:
629-79-8
Molecular Formula:
C16H31N
Molecular Weight:
237.4240
MDL Number:
MFCD01310359
IUPAC Name:
hexadecanenitrile
InChI:
InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3
InChI Key:
WGXGAUQEMYSVJM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC#N
EC Number:
211-110-5
UNII:
NU03440G5D
NSC Number:
2137
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.246g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.431g/mol
Monoisotopic Mass:
237.246g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  
Literature
Title Journal
Design and synthesis of boronic acid inhibitors of endothelial lipase. Bioorganic & medicinal chemistry letters 20120201
Properties