Home Nitriles Propanedinitrile,2-methyl-

Propanedinitrile,2-methyl-

CAS No.:
3696-36-4
Catalog Number:
AG007CS5
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007CS5
Chemical Name:
Propanedinitrile,2-methyl-
CAS Number:
3696-36-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD01715963
IUPAC Name:
2-methylpropanedinitrile
InChI:
InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3
InChI Key:
LXUTYOVUICAOGH-UHFFFAOYSA-N
SMILES:
N#CCC(C#N)(O)C
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.09g/mol
Monoisotopic Mass:
80.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
2,2'-Dimethyl-2,2'-(m-phenyl-ene-dimethyl-ene)propane-dinitrile. Acta crystallographica. Section E, Structure reports online 20090701
Properties