8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-1,3-Di(Prop-2-Enyl)-7H-Purine-2,6-Dione
[CAS# 155814-27-0]

Identification

• Name: 8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-1,3-Di(Prop-2-Enyl)-7H-Purine-2,6-Dione
• Synonyms: 1,3-Diallyl-8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7H-Purine-2,6-Dione; 1,3-Diallyl-8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7H-Purine-2,6-Quinone; (E)-1,3-Diallyl-8-(3,4-Dimethoxystyryl)Xanthine
• Molecular Formula: C₂₁H₂₂N₄O₄
• Molecular Weight: 394.43
• CAS Registry Number: 155814-27-0
• SMILES: C1=C(OC)C(=CC=C1/C=C/C2=NC3=C([NH]2)C(=O)N(C(=O)N3CC=C)CC=C)OC
• InChI: 1S/C21H22N4O4/c1-5-11-24-19-18(20(26)25(12-6-2)21(24)27)22-17(23-19)10-8-14-7-9-15(28-3)16(13-14)29-4/h5-10,13H,1-2,11-12H2,3-4H3,(H,22,23)/b10-8+
• InChIKey: CPKFTMZBSCSJGD-CSKARUKUSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 630.584°C at 760 mmHg (Cal.)
• Flash point: 335.165°C (Cal.)