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136805-41-9 | 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-
CAS No: 136805-41-9 Catalog No: AG0012E9 MDL No:
Product Description
Catalog Number:
AG0012E9
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-
CAS Number:
136805-41-9
Molecular Formula:
C6H5N5
Molecular Weight:
147.1374
IUPAC Name:
2-amino-1-methylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C6H5N5/c1-11-5(3-8)4(2-7)10-6(11)9/h1H3,(H2,9,10)
InChI Key:
TWBISSNIBRVTHW-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)nc(n1C)N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.141g/mol
Monoisotopic Mass:
147.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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