8-[(E)-2-(4-Ethoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 151539-41-2]

Identification

• Name: 8-[(E)-2-(4-Ethoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Ethoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(4-Ethoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Quinone; (E)-1,3-Dipropyl-8-(2-(4-Ethoxyphenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₂₁H₂₆N₄O₃
• Molecular Weight: 382.46
• CAS Registry Number: 151539-41-2
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CCC)=O)CCC)=O)OCC
• InChI: 1S/C21H26N4O3/c1-4-13-24-19-18(20(26)25(14-5-2)21(24)27)22-17(23-19)12-9-15-7-10-16(11-8-15)28-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,22,23)/b12-9+
• InChIKey: GPWZJPXOLYCQRF-FMIVXFBMSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 615.674°C at 760 mmHg (Cal.)
• Flash point: 326.148°C (Cal.)