3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
3,7-dimethyl-1,6-dihydropurin-2-one
Also Known As: 3,7-dimethyl-1,6-dihydropurin-2-one|3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one
CAS: 98335-22-9
| Molecular Formula | C7H10N4O |
|---|---|
| Molecular Weight | 166.08546 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.08546 |
| Monoisotopic Mass | 166.08546 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 98335-22-9 |
|---|---|
| SMILES | CN1C=NC2=C1CNC(=O)N2C |
| InChIKey | NPEIHQNAMLQBND-UHFFFAOYSA-N |
Product Overview
3,7-dimethyl-1,3,6,7-tetrahydro-2H-purin-2-one (CAS 98335-22-9), with molecular formula C7H10N4O and molecular weight 166.08546 g/mol. IUPAC: 3,7-dimethyl-1,6-dihydropurin-2-one.
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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