Home Nitriles Propanedinitrile, butyl-

Propanedinitrile, butyl-

CAS No.:
7391-58-4
Catalog Number:
AG005VSG
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
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Product Description
Catalog Number:
AG005VSG
Chemical Name:
Propanedinitrile, butyl-
CAS Number:
7391-58-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD06215024
IUPAC Name:
2-butylpropanedinitrile
InChI:
InChI=1S/C7H10N2/c1-2-3-4-7(5-8)6-9/h7H,2-4H2,1H3
InChI Key:
IHHJYYHYSAGXEE-UHFFFAOYSA-N
SMILES:
CCCCC(C#N)C#N
Properties
Complexity:
138  
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:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties