7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 1,3-Dimethyl-7-(4-hydroxybutyl)xanthine|7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione|J1.142.819C|7-(4-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|7-(4-Hydroxy-butyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion|1H-Purine-2,6-dione,3,7-dihydro-7-(4-hydroxybutyl)-1,3-dimethyl-|7-(4-hydroxybutyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 89751-98-4
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12224 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12224 |
| Monoisotopic Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 89751-98-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO |
| InChIKey | KPFQHJNTWKDPPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (6 patents)
Heterocyclic Building Blocks (9 patents)
Organic Building Blocks (2 patents)
Pharmaceutical Intermediates (3 patents)
Product Overview
7-(4-Hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 89751-98-4), with molecular formula C11H16N4O3 and molecular weight 252.12224 g/mol. IUPAC: 7-(4-hydroxybutyl)-1,3-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.
View MSDS →
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