1-Butyl-7-(5,6-dihydroxyhexyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-14-9]

Identification

• Name: 1-Butyl-7-(5,6-dihydroxyhexyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-1-butyl-7-(5,6-dihydroxyhexyl)-3-methyl-; 3,7-Dihydro-1-butyl-7-(5,6-dihydroxyhexyl)-3-methyl-1H-purine-2,6-dione
• Molecular Formula: C₁₆H₂₆N₄O₄
• Molecular Weight: 338.40
• CAS Registry Number: 86257-14-9
• SMILES: O=C2N(c1ncn(c1C(=O)N2CCCC)CCCCC(O)CO)C
• InChI: 1S/C16H26N4O4/c1-3-4-9-20-15(23)13-14(18(2)16(20)24)17-11-19(13)8-6-5-7-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3
• InChIKey: NFGVXOQLSPGOEO-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 597.293°C at 760 mmHg (Cal.)
• Flash point: 315.032°C (Cal.)