Bluedark| Paraxanthine | |
|---|---|
| |
| Molecular structure via molpic | |
| Molecular formula | C7H8N4O2 |
| Molecular mass | 180.16 g/mol |
| Predicted LogP | -0.2 |
| Melting point | 351 - 352 °C |
| Solubility | >27 [ug/mL] (The mean of the results at pH 7.4) |
| Identifiers [] | |
|---|---|
| IUPAC name | 1,7-dimethyl-3H-purine-2,6-dione |
| Cannonical SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2)C |
| InChI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) |
| InChIKey | QUNWUDVFRNGTCO-UHFFFAOYSA-N |
Paraxanthine
Paraxanthine (also known as 1,7-Dimethylxanthine, p-Xanthine, 1,7-Dimethyl-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-, Xanthine, 1,7-dimethyl-, 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione, Caffeine Impurity F, EINECS 210-271-9, 1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione or 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione) is a substance of the xanthine class.