1,9-Dimethylxanthine
1,9-dimethyl-3H-purine-2,6-dione
Also Known As: 1,9-Dimethylxanthine|Isoparaxanthine|Isotheophylline|1,9-DimethylX|1,9-dimethyl-1H-purine-2,6(3H,9H)-dione|Caffeine Impurity 14|1,9-dimethyl-3H-purine-2,6-dione|EINECS 251-367-0|KST-1B3333|XANTHINE, 1,9-DIMETHYL-|2,6-Dihydroxy-1,9-dimethylpurine|3,9-Dihydro-1,9-dimethyl-1H-purine-2,6-dione|tris(2,4-dimethylphenyl) phosphite|3,5-DIMETHOXYPHENYLISOCYANATE|PDSP1_001042|PDSP2_001026|1H-Purine-2,6-dione, 3,9-dihydro-1,9-dimethyl-|9-Hydro-7-dehydro-1,9-dimethylxanthine|1,9-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione|1,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione|purine-2,6(1H,3H)-dione, 1,9-dimethyl-|1,9-Dimethyl-9H-purine-2,6(1H,3H)-dione|1H-Purine-2,6-dione,3,9-dihydro-1,9-dimethyl-
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06473 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 574.2 |
Chemical Identifiers
| CAS Number | 33073-01-7 |
|---|---|
| SMILES | CN1C=NC2=C1NC(=O)N(C2=O)C |
Product Overview
1,9-Dimethylxanthine (CAS 33073-01-7), with molecular formula C7H8N4O2 and molecular weight 180.06473 g/mol. IUPAC: 1,9-dimethyl-3H-purine-2,6-dione.
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