7-(5,6-Dihydroxyhexyl)-3-ethyl-1-pentyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-22-9]

Identification

• Name: 7-(5,6-Dihydroxyhexyl)-3-ethyl-1-pentyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentyl-; 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentyl-1H-purine-2,6-dione
• Molecular Formula: C₁₈H₃₀N₄O₄
• Molecular Weight: 366.46
• CAS Registry Number: 86257-22-9
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCCCC)CCCCC(O)CO)CC
• InChI: 1S/C18H30N4O4/c1-3-5-7-11-22-17(25)15-16(21(4-2)18(22)26)19-13-20(15)10-8-6-9-14(24)12-23/h13-14,23-24H,3-12H2,1-2H3
• InChIKey: AXWFSJQUYWLVTD-UHFFFAOYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 609.968°C at 760 mmHg (Cal.)
• Flash point: 322.697°C (Cal.)