1-(5,6-Dihydroxyhexyl)-7-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-05-8]

Identification

• Name: 1-(5,6-Dihydroxyhexyl)-7-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-1-(5,6-dihydroxyhexyl)-7-methyl-3-propyl-; 3,7-Dihydro-1-(5,6-dihydroxyhexyl)-7-methyl-3-propyl-1H-purine-2,6-dione
• Molecular Formula: C₁₅H₂₄N₄O₄
• Molecular Weight: 324.38
• CAS Registry Number: 86257-05-8
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCCCC(O)CO)C)CCC
• InChI: 1S/C15H24N4O4/c1-3-7-18-13-12(17(2)10-16-13)14(22)19(15(18)23)8-5-4-6-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3
• InChIKey: KIKUMDXGNKMERN-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 595.431°C at 760 mmHg (Cal.)
• Flash point: 313.906°C (Cal.)