1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-
7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(beta-Hydroxybutyl)theophylline|Theophylline, 7-(2-hydroxybutyl)-|5-26-14-00067 (Beilstein Handbook Reference)|7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-|3,7-Dihydro-1,3-dimethyl-7-(2-hydroxybutyl)-1H-purine-2,6-dione|7-(2-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxybutyl)-1,3-dimethyl-
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12224 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.12224 |
| Monoisotopic Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 56560-67-9 |
|---|---|
| SMILES | CCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | FVYWRRDRUXVGII-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- (CAS 56560-67-9), with molecular formula C11H16N4O3 and molecular weight 252.12224 g/mol. IUPAC: 7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione.
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxybutyl)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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