Molecule structure of 5-Diazoimidazole-4-carboxamide hydrochloride (CAS NO.64038-55-7):
IUPAC Name: 5-Carbamoyl-4H-imidazole-4-diazonium chloride
Molecular Weight: 173.56046 g/mol
Molecular Formula: C4H4ClN5O
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 173.010437
MonoIsotopic Mass: 173.010437
Topological Polar Surface Area: 96
Heavy Atom Count: 11
Complexity: 269
Canonical SMILES: C1=NC(C(=N1)C(=O)N)[N+]#N.[Cl-]
InChI: InChI=1S/C4H3N5O.ClH/c5-3(10)2-4(9-6)8-1-7-2;/h1,4H,(H-,5,10);1H
InChIKey: DYKVMQBUBHRZMT-UHFFFAOYSA-N
Classification Code of 5-Diazoimidazole-4-carboxamide hydrochloride (CAS NO.64038-55-7): Tumor data
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.
5-Diazoimidazole-4-carboxamide hydrochloride (CAS NO.64038-55-7) is also named as Imidazole-4-carboxamide, 5-diazo-, hydrochloride .
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