N-(2-Cyanoethyl)-1-methyl-4-nitro-1H-imidazole-2-carboxamide

Base Information

• Chemical Name: N-(2-Cyanoethyl)-1-methyl-4-nitro-1H-imidazole-2-carboxamide
• CAS No.: 109012-26-2
• Molecular Formula: C₈H₉N₅O₃
• Molecular Weight: 223.191
• DSSTox Substance ID: DTXSID001184568
• Nikkaji Number: J1.323.918E

Synonyms:N-(2-Cyanoethyl)-1-methyl-4-nitro-1H-imidazole-2-carboxamide;DTXSID001184568;109012-26-2

Chemical Property of N-(2-Cyanoethyl)-1-methyl-4-nitro-1H-imidazole-2-carboxamide

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.07053917
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(N=C1C(=O)NCCC#N)[N+](=O)[O-]

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