6-[16-(7H-Purin-6-Yl)-1,4,10,13-Tetraoxa-7,16-Diazacyclooctadec-7-Yl]-7H-Purine
[CAS# 149246-42-4]

Identification

• Name: 6-[16-(7H-Purin-6-Yl)-1,4,10,13-Tetraoxa-7,16-Diazacyclooctadec-7-Yl]-7H-Purine
• Synonyms: 1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane, 7,16-Di(1H-Pyrin-6-Yl)-; 1H-Purine, 6,6'-(1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diyl)Bis-; 6,6'-(1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diyl)Bis-1H-Purine
• Molecular Formula: C₂₂H₃₀N₁₀O₄
• Molecular Weight: 498.54
• CAS Registry Number: 149246-42-4
• SMILES: C1=NC2=C([NH]1)C(=NC=N2)N3CCOCCOCCN(CCOCCOCC3)C4=NC=NC5=C4[NH]C=N5
• InChI: 1S/C22H30N10O4/c1-5-33-9-10-35-7-3-32(22-18-20(26-14-24-18)28-16-30-22)4-8-36-12-11-34-6-2-31(1)21-17-19(25-13-23-17)27-15-29-21/h13-16H,1-12H2,(H,23,25,27,29)(H,24,26,28,30)
• InChIKey: ZEALNJMXZDNVRJ-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 893.381°C at 760 mmHg (Cal.)
• Flash point: 494.099°C (Cal.)