Home Nitriles 1H-Imidazole-4,5-dicarbonitrile,1-(1-methylethyl)-(9CI)

1H-Imidazole-4,5-dicarbonitrile,1-(1-methylethyl)-(9CI)

CAS No.:
133123-69-0
Catalog Number:
AG00AHFE
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
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Product Description
Catalog Number:
AG00AHFE
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile,1-(1-methylethyl)-(9CI)
CAS Number:
133123-69-0
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD18808570
IUPAC Name:
1-propan-2-ylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C8H8N4/c1-6(2)12-5-11-7(3-9)8(12)4-10/h5-6H,1-2H3
InChI Key:
AMXZFFJOWGQWMK-UHFFFAOYSA-N
SMILES:
CC(n1cnc(c1C#N)C#N)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties