8-[4-(1H-Benzimidazol-2-Yl)Butyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 74039-64-8]

Identification

• Name: 8-[4-(1H-Benzimidazol-2-Yl)Butyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[4-(1H-Benzimidazol-2-Yl)Butyl]-1,3-Dimethyl-7H-Purine-2,6-Quinone; 8-(4-(1H-Benzimidazol-2-Yl)Butyl)-1,3-Dimethyl-3,9-Dihydro-1H-Purine-2,6-Dione; Nsc 81509
• Molecular Formula: C₁₈H₂₀N₆O₂
• Molecular Weight: 352.40
• CAS Registry Number: 74039-64-8
• SMILES: C2=C1N=C([NH]C1=CC=C2)CCCCC4=NC3=C(C(N(C(N3C)=O)C)=O)[NH]4
• InChI: 1S/C18H20N6O2/c1-23-16-15(17(25)24(2)18(23)26)21-14(22-16)10-6-5-9-13-19-11-7-3-4-8-12(11)20-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22)
• InChIKey: VEFLECDGOCHYBW-UHFFFAOYSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 718.426°C at 760 mmHg (Cal.)
• Flash point: 388.29°C (Cal.)