3-(5,6-Dihydroxyhexyl)-1,7-diethyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-04-7]

Identification

• Name: 3-(5,6-Dihydroxyhexyl)-1,7-diethyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1,7-Diethyl-3-(5,6-dihydroxyhexyl)xanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1,7-diethyl-3-(5,6-dihydroxyhexyl)-; 3,7-Dihydro-1,7-diethyl-3-(5,6-dihydroxyhexyl)-1H-purine-2,6-dione
• Molecular Formula: C₁₅H₂₄N₄O₄
• Molecular Weight: 324.38
• CAS Registry Number: 86257-04-7
• SMILES: O=C2N(c1ncn(c1C(=O)N2CC)CC)CCCCC(O)CO
• InChI: 1S/C15H24N4O4/c1-3-17-10-16-13-12(17)14(22)18(4-2)15(23)19(13)8-6-5-7-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3
• InChIKey: RTHCOBFNXLAZMZ-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 593.877°C at 760 mmHg (Cal.)
• Flash point: 312.966°C (Cal.)