7-(5,6-Dihydroxyhexyl)-3-methyl-1-pentyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-16-1]

Identification

• Name: 7-(5,6-Dihydroxyhexyl)-3-methyl-1-pentyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-; 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-pentyl-1H-purine-2,6-dione
• Molecular Formula: C₁₇H₂₈N₄O₄
• Molecular Weight: 352.43
• CAS Registry Number: 86257-16-1
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCCCC)CCCCC(O)CO)C
• InChI: 1S/C17H28N4O4/c1-3-4-6-10-21-16(24)14-15(19(2)17(21)25)18-12-20(14)9-7-5-8-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3
• InChIKey: JZDKVCDIZQBCLA-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 603.207°C at 760 mmHg (Cal.)
• Flash point: 318.608°C (Cal.)