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Home Other Building Blocks 1,6-Dicyanohexane

1,6-Dicyanohexane

CAS No.:
629-40-3
Catalog Number:
AG0036ZR
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG0036ZR
Chemical Name:
1,6-Dicyanohexane
CAS Number:
629-40-3
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD00001981
IUPAC Name:
octanedinitrile
InChI:
InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2
InChI Key:
BTNXBLUGMAMSSH-UHFFFAOYSA-N
SMILES:
N#CCCCCCCC#N
EC Number:
211-089-2
UNII:
JNT1LXA02U
NSC Number:
51242
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Structural and dynamic aspects of hydrogen-bonded complexes and inclusion compounds containing alpha,omega-dicyanoalkanes and urea, investigated by solid-state 13C and 2H NMR techniques. The journal of physical chemistry. B 20051215
Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding. Chemical communications (Cambridge, England) 20040707
Properties