1,7-Dimethyl-3-(3-methylbutyl)purine-2,6-dione
1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione
Also Known As: 1,7-dimethyl-3-(3-methylbutyl)purine-2,6-dione|3-(3-Methylbutyl)-1,7-dimethylxanthine|1,7-Dimethyl-3-(3'-methylbutyl)xanthine|1,7-Dimethyl-3-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione|1,7-dimethyl-3-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 7499-82-3
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14297 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Monoisotopic Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 7499-82-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C |
| InChIKey | TTXWCTZRJAGECF-UHFFFAOYSA-N |
Product Overview
1,7-Dimethyl-3-(3-methylbutyl)purine-2,6-dione (CAS 7499-82-3), with molecular formula C12H18N4O2 and molecular weight 250.14297 g/mol. IUPAC: 1,7-dimethyl-3-(3-methylbutyl)purine-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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1,7-Dimethyl-3-(3-methylbutyl)purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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