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Home Other Building Blocks 1,5-Dicyanopentane

1,5-Dicyanopentane

CAS No.:
646-20-8
Catalog Number:
AG003DQ7
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
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Product Description
Catalog Number:
AG003DQ7
Chemical Name:
1,5-Dicyanopentane
CAS Number:
646-20-8
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD00001980
IUPAC Name:
heptanedinitrile
InChI:
InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2
InChI Key:
LLEVMYXEJUDBTA-UHFFFAOYSA-N
SMILES:
N#CCCCCCC#N
EC Number:
211-469-8
UNII:
3D5H23A27Q
NSC Number:
5392
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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
Properties