1H-Imidazole-4,5-dicarbonitrile, 2-propyl-


Chemical Name: 1H-Imidazole-4,5-dicarbonitrile, 2-propyl-
CAS Number: 51802-42-7
Product Number: AG00DD0Z(AGN-PC-0KKPQE)
Synonyms:
MDL No:
Molecular Formula: C8H8N4
Molecular Weight: 160.1759

Identification/Properties


Computed Properties
Molecular Weight:
160.18g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
160.075g/mol
Monoisotopic Mass:
160.075g/mol
Topological Polar Surface Area:
76.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
242
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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