7-(2-Hydroxypropyl)-3-Methyl-1-(5-Oxohexyl)Purine-2,6-Dione
[CAS# 104317-70-6]

Identification

• Name: 7-(2-Hydroxypropyl)-3-Methyl-1-(5-Oxohexyl)Purine-2,6-Dione
• Synonyms: 7-(2-Hydroxypropyl)-1-(5-Ketohexyl)-3-Methyl-Xanthine; Hydroxypropentofylline; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-(2-Hydroxypropyl)-3-Methyl-1-(5-Oxohexyl)-
• Molecular Formula: C₁₅H₂₂N₄O₄
• Molecular Weight: 322.36
• CAS Registry Number: 104317-70-6
• SMILES: C1=NC2=C([N]1CC(C)O)C(N(C(N2C)=O)CCCCC(C)=O)=O
• InChI: 1S/C15H22N4O4/c1-10(20)6-4-5-7-19-14(22)12-13(17(3)15(19)23)16-9-18(12)8-11(2)21/h9,11,21H,4-8H2,1-3H3
• InChIKey: HNFYOKRWFUQBIE-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 591.904°C at 760 mmHg (Cal.)
• Flash point: 311.772°C (Cal.)