8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
[CAS# 155271-43-5]

Identification

• Name: 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Purine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Vinyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3-Diethyl-7-Methyl-Xanthine
• Molecular Formula: C₂₀H₂₃ClN₄O₄
• Molecular Weight: 418.88
• CAS Registry Number: 155271-43-5
• SMILES: C3=C(/C=C/C1=NC2=C([N]1C)C(=O)N(C(=O)N2CC)CC)C(=C(OC)C(=C3)OC)Cl
• InChI: 1S/C20H23ClN4O4/c1-6-24-18-16(19(26)25(7-2)20(24)27)23(3)14(22-18)11-9-12-8-10-13(28-4)17(29-5)15(12)21/h8-11H,6-7H2,1-5H3/b11-9+
• InChIKey: ATRRRYKPCKZLQE-PKNBQFBNSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 622.955°C at 760 mmHg (Cal.)
• Flash point: 330.551°C (Cal.)