1-Butyl-3-(3-Hydroxypropyl)-8-(Tricyclo[3.3.1.0^3,7]Non-3-Yl)-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 524944-72-7]

Identification

• Name: 1-Butyl-3-(3-Hydroxypropyl)-8-(Tricyclo[3.3.1.0^3,7]Non-3-Yl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: [524944-72-7]; 1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione; PSB 36
• Molecular Formula: C₂₁H₃₀N₄O₃
• Molecular Weight: 386.49
• CAS Registry Number: 524944-72-7
• SMILES: CCCCN1C(=O)C2=C(N=C(N2)C34CC5CC(C3)CC4C5)N(C1=O)CCCO
• InChI: 1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)
• InChIKey: CIBIXJYFYPFMTN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 646.0±61.0°C at 760 mmHg (Cal.)
• Flash point: 344.5±33.2°C (Cal.)
• Refractive index: 1.616 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol