3-Hexyl-1,7-dimethylpurine-2,6-dione
3-hexyl-1,7-dimethylpurine-2,6-dione
Also Known As: 3-hexyl-1,7-dimethylpurine-2,6-dione|3-hexyl-1,7-dimethyl-purine-2,6-dione|3-Hexyl-1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS: 7499-85-6
| Molecular Formula | C13H20N4O2 |
|---|---|
| Molecular Weight | 264.15863 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.15863 |
| Monoisotopic Mass | 264.15863 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 7499-85-6 |
|---|---|
| SMILES | CCCCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C |
| InChIKey | MYNYSQNOJCYJTR-UHFFFAOYSA-N |
Product Overview
3-Hexyl-1,7-dimethylpurine-2,6-dione (CAS 7499-85-6), with molecular formula C13H20N4O2 and molecular weight 264.15863 g/mol. IUPAC: 3-hexyl-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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