3,7-Diethylxanthine
3,7-diethylpurine-2,6-dione
Also Known As: 3,7-diethylxanthine|3,7-diethylpurine-2,6-dione|3,7-diethyl-1H-purine-2,6(3H,7H)-dione|3,7-Diethyl-6-hydroxy-3,7-dihydro-2H-purin-2-one
CAS: 5253-70-3
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.09602 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09602 |
| Monoisotopic Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5253-70-3 |
|---|---|
| SMILES | CCN1C=NC2=C1C(=O)NC(=O)N2CC |
| InChIKey | GGWIHGASQJEWBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (63 patents)
Heterocyclic Building Blocks (9 patents)
Pharmaceutical Intermediates (39 patents)
Product Overview
3,7-Diethylxanthine (CAS 5253-70-3), with molecular formula C9H12N4O2 and molecular weight 208.09602 g/mol. IUPAC: 3,7-diethylpurine-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.
View MSDS →
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