1H-Purine-2,6(3H,7H)-dione
Product Description
| Product | 1H-Purine-2,6(3H,7H)-dione |
| CAS | 69-89-6 |
| Formula | C5H4N4O2 |
| Synonym | 2,6-Dioxo-1,2,3,6-tetrahydropurine, 1H-Purine-2,6-dione, 3,7-dihydro-, Xanthin, 2,6(1,3)-Purinedion, 9H-Purine-2,6-(1H,3H)-dione, XAN, Purine-2,6-diol, AI3-52268, Xanthine, EINECS 200-718-6, USAF CB-17, 2,6-Dioxopurine, 3,7-Dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-diol, purine-2(3H),6(1H)-dione, 9H-Purine-2,6(1H,3H)-dione, NSC 14664, Xanthine (VAN) (8CI), Dioxopurine, Isoxanthine, Isocanthine Pseudoxanthine, Pseudoxanthine, EPA Pesticide Chemical Code 116900, 9H-Purine-2,6-diol, 1H-Purine-2,6-dione, 3,9-dihydro-, Xanthic oxide, Purine-2,6-(1H,3H)-dione, 2,6-Dihydroxypurine, UNII-1AVZ07U9S7, Purine-2,6(1H,3H)-dione, CCRIS 994 |
Typical Product Specifications
| Molecular weight | 152.11 |
| SMILES | c12c(c([nH]c([nH]1)=O)=O)[nH]cn2 |
| InChI | 1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
| pKa Dissociation Constant | 7.53 |
| Vapor Pressure | 2.64E-10 mm Hg |
| Atmospheric OH Rate Constant | 5.48E-11 cm3/molecule-sec |
| Water solubility | 69 mg/L |
| log P (octanol-water) | -0.73 |
| Henry's Law Constant | 3.73E-14 atm-m3/mole |
| Notes | 1H-Purine-2,6(3H,7H)-dione uses and applications include: Organic synthesis, medicine |
| Class | Specialty Chemicals |
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