8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 123980-55-2
• Molecular Formula: C12H17BrN4O2
• Molecular Weight: 329.19
• DSSTox Substance ID: DTXSID001200493
• Mol file: 123980-55-2.mol

Synonyms:8-bromo-7-hexyl-3-methylpurine-2,6-dione;8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione;123980-55-2;DTXSID001200493;STK834359;AKOS000576874;8-bromo-7-(n-hexyl)-3-methylxanthine;AG-690/36537007;SR-01000392029;SR-01000392029-1;8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Chemical Property of 8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 328.05349
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

8-BROMO-7-HEXYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

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