8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-7-Methyl-1,3-Di(Prop-2-Enyl)Purine-2,6-Dione
[CAS# 155814-28-1]

Identification

• Name: 8-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-7-Methyl-1,3-Di(Prop-2-Enyl)Purine-2,6-Dione
• Synonyms: 1,3-Diallyl-8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7-Methyl-Purine-2,6-Dione; 1,3-Diallyl-8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7-Methylpurine-2,6-Dione; 1,3-Diallyl-8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-7-Methyl-Xanthine
• Molecular Formula: C₂₂H₂₄N₄O₄
• Molecular Weight: 408.46
• CAS Registry Number: 155814-28-1
• SMILES: C1=C(OC)C(=CC=C1/C=C/C2=NC3=C([N]2C)C(=O)N(C(=O)N3CC=C)CC=C)OC
• InChI: 1S/C22H24N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h6-11,14H,1-2,12-13H2,3-5H3/b11-9+
• InChIKey: MAOSHAJGFFNTGN-PKNBQFBNSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 619.797°C at 760 mmHg (Cal.)
• Flash point: 328.642°C (Cal.)