7-(4,5-Dihydroxyhexyl)-3-ethyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-37-6]

Identification

• Name: 7-(4,5-Dihydroxyhexyl)-3-ethyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-7-(4,5-dihydroxyhexyl)-3-ethyl-1-propyl-; 3,7-Dihydro-7-(4,5-dihydroxyhexyl)-3-ethyl-1-propyl-1H-purine-2,6-dione
• Molecular Formula: C₁₆H₂₆N₄O₄
• Molecular Weight: 338.40
• CAS Registry Number: 86257-37-6
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCC)CCCC(O)C(O)C)CC
• InChI: 1S/C16H26N4O4/c1-4-8-20-15(23)13-14(19(5-2)16(20)24)17-10-18(13)9-6-7-12(22)11(3)21/h10-12,21-22H,4-9H2,1-3H3
• InChIKey: QWFXGJOMPNQZNP-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 591.208°C at 760 mmHg (Cal.)
• Flash point: 311.351°C (Cal.)