7-(5,6-Dihydroxyhexyl)-3-ethyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
[CAS# 86257-19-4]

Identification

• Name: 7-(5,6-Dihydroxyhexyl)-3-ethyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-methyl-; 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-methyl-1H-purine-2,6-dione
• Molecular Formula: C₁₄H₂₂N₄O₄
• Molecular Weight: 310.35
• CAS Registry Number: 86257-19-4
• SMILES: O=C2N(c1ncn(c1C(=O)N2C)CCCCC(O)CO)CC
• InChI: 1S/C14H22N4O4/c1-3-18-12-11(13(21)16(2)14(18)22)17(9-15-12)7-5-4-6-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3
• InChIKey: HZRDAOILOAVLIL-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 587.894°C at 760 mmHg (Cal.)
• Flash point: 309.348°C (Cal.)