8-[(E)-2-(4-Butoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 151539-68-3]

Identification

• Name: 8-[(E)-2-(4-Butoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Butoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(4-Butoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Quinone; (E)-8-(2-(4-Butoxyphenyl)Ethenyl)-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₂₃H₃₀N₄O₃
• Molecular Weight: 410.52
• CAS Registry Number: 151539-68-3
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CCC)=O)CCC)=O)OCCCC
• InChI: 1S/C23H30N4O3/c1-4-7-16-30-18-11-8-17(9-12-18)10-13-19-24-20-21(25-19)26(14-5-2)23(29)27(15-6-3)22(20)28/h8-13H,4-7,14-16H2,1-3H3,(H,24,25)/b13-10+
• InChIKey: VZSHSGUGDOHEHZ-JLHYYAGUSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 630.2°C at 760 mmHg (Cal.)
• Flash point: 334.933°C (Cal.)