1-(5-Hydroxy-5-Methylhexyl)-3-Methyl-7H-Purine-2,6-Dione
[CAS# 107767-55-5]

Identification

• Name: 1-(5-Hydroxy-5-Methylhexyl)-3-Methyl-7H-Purine-2,6-Dione
• Synonyms: 1-(5-Hydroxy-5-Methyl-Hexyl)-3-Methyl-7H-Purine-2,6-Dione; 1-(5-Hydroxy-5-Methyl-Hexyl)-3-Methyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1-(5-Hydroxy-5-Methylhexyl)-3-Methyl-
• Molecular Formula: C₁₃H₂₀N₄O₃
• Molecular Weight: 280.33
• CAS Registry Number: 107767-55-5
• SMILES: C2=NC1=C(C(N(CCCCC(C)(C)O)C(N1C)=O)=O)[NH]2
• InChI: 1S/C13H20N4O3/c1-13(2,20)6-4-5-7-17-11(18)9-10(15-8-14-9)16(3)12(17)19/h8,20H,4-7H2,1-3H3,(H,14,15)
• InChIKey: NWXULHNEYYFVMF-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 527.246°C at 760 mmHg (Cal.)
• Flash point: 272.669°C (Cal.)