7-(Ethoxymethyl)-1-(5-Hydroxy-5-Methylhexyl)-3-Methylpurine-2,6-Dione
[CAS# 105102-21-4]

Identification

• Name: 7-(Ethoxymethyl)-1-(5-Hydroxy-5-Methylhexyl)-3-Methylpurine-2,6-Dione
• Synonyms: 7-(Ethoxymethyl)-1-(5-Hydroxy-5-Methyl-Hexyl)-3-Methyl-Purine-2,6-Dione; 7-(Ethoxymethyl)-1-(5-Hydroxy-5-Methyl-Hexyl)-3-Methyl-Xanthine; Torbafyllinum [Latin]
• Molecular Formula: C₁₆H₂₆N₄O₄
• Molecular Weight: 338.41
• CAS Registry Number: 105102-21-4
• SMILES: C1=NC2=C([N]1COCC)C(N(CCCCC(C)(C)O)C(N2C)=O)=O
• InChI: 1S/C16H26N4O4/c1-5-24-11-19-10-17-13-12(19)14(21)20(15(22)18(13)4)9-7-6-8-16(2,3)23/h10,23H,5-9,11H2,1-4H3
• InChIKey: QSXXLDDWVCEBFP-UHFFFAOYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 534.659°C at 760 mmHg (Cal.)
• Flash point: 277.152°C (Cal.)