1-Butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-20-7]

Identification

• Name: 1-Butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-1-butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-; 3,7-Dihydro-1-butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-1H-purine-2,6-dione
• Molecular Formula: C₁₇H₂₈N₄O₄
• Molecular Weight: 352.43
• CAS Registry Number: 86257-20-7
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCCC)CCCCC(O)CO)CC
• InChI: 1S/C17H28N4O4/c1-3-5-10-21-16(24)14-15(20(4-2)17(21)25)18-12-19(14)9-7-6-8-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3
• InChIKey: NPIPLDIXIYLRJD-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 603.485°C at 760 mmHg (Cal.)
• Flash point: 318.777°C (Cal.)