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82308-51-8 | Propanedinitrile, (1H-imidazol-2-ylmethylene)-
CAS No: 82308-51-8 Catalog No: AG0055YZ MDL No:
Product Description
Catalog Number:
AG0055YZ
Chemical Name:
Propanedinitrile, (1H-imidazol-2-ylmethylene)-
CAS Number:
82308-51-8
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
IUPAC Name:
2-(1H-imidazol-2-ylmethylidene)propanedinitrile
InChI:
InChI=1S/C7H4N4/c8-4-6(5-9)3-7-10-1-2-11-7/h1-3H,(H,10,11)
InChI Key:
AYENSJBDZMHPTB-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ncc[nH]1)C#N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. | Journal of medicinal chemistry 19910601 |
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