8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione
[CAS# 155271-45-7]

Identification

• Name: 8-[(E)-2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione
• Synonyms: 8-[2-(2-Chloro-3,4-Dimethoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione; 8-[(E)-2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3,7-Trimethyl-Purine-2,6-Dione; 8-[2-(2-Chloro-3,4-Dimethoxy-Phenyl)Vinyl]-1,3,7-Trimethyl-Purine-2,6-Dione
• Molecular Formula: C₁₈H₁₉ClN₄O₄
• Molecular Weight: 390.83
• CAS Registry Number: 155271-45-7
• SMILES: C1=C(C(=C(C(=C1)/C=C/C2=NC3=C([N]2C)C(N(C(N3C)=O)C)=O)Cl)OC)OC
• InChI: 1S/C18H19ClN4O4/c1-21-12(20-16-14(21)17(24)23(3)18(25)22(16)2)9-7-10-6-8-11(26-4)15(27-5)13(10)19/h6-9H,1-5H3/b9-7+
• InChIKey: XZZJJXPBIPVGCJ-VQHVLOKHSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 609.744°C at 760 mmHg (Cal.)
• Flash point: 322.562°C (Cal.)