3-Benzyl-1,7-dimethylpurine-2,6-dione
3-benzyl-1,7-dimethylpurine-2,6-dione
Also Known As: 3-Benzyl-1,7-dimethylxanthine|3-benzyl-1,7-dimethylpurine-2,6-dione|3-Benzyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|3-benzyl-1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 7499-88-9
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11166 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Monoisotopic Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 7499-88-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)C |
| InChIKey | KMGQYTLRTCNNBE-UHFFFAOYSA-N |
Product Overview
3-Benzyl-1,7-dimethylpurine-2,6-dione (CAS 7499-88-9), with molecular formula C14H14N4O2 and molecular weight 270.11166 g/mol. IUPAC: 3-benzyl-1,7-dimethylpurine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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