3,7-Dimethyl-8-nitropurine-2,6-dione

Base Information

• Chemical Name: 3,7-Dimethyl-8-nitropurine-2,6-dione
• CAS No.: 91448-32-7
• Molecular Formula: C7H7N5O4
• DSSTox Substance ID: DTXSID40405292
• Wikidata: Q82209770

Synonyms:91448-32-7;3,7-dimethyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione;3,7-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-8-nitropurine-2,6-dione;AC1Q3XMJ;8-nitrotheobromine;starbld0011173;DTXSID40405292;CS-0236431;EN300-1709309

Chemical Property of 3,7-Dimethyl-8-nitropurine-2,6-dione

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 225.04980372
• Heavy Atom Count: 16
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

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