8-[2-(3-Bromo-4-Methoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione
[CAS# 155271-51-5]

Identification

• Name: 8-[2-(3-Bromo-4-Methoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(3-Bromo-4-Methoxyphenyl)Ethenyl]-1,3,7-Trimethylpurine-2,6-Dione; 8-[(E)-2-(3-Bromo-4-Methoxy-Phenyl)Vinyl]-1,3,7-Trimethyl-Purine-2,6-Dione; 8-[2-(3-Bromo-4-Methoxy-Phenyl)Vinyl]-1,3,7-Trimethyl-Purine-2,6-Dione
• Molecular Formula: C₁₇H₁₇BrN₄O₃
• Molecular Weight: 405.25
• CAS Registry Number: 155271-51-5
• SMILES: C1=C(Br)C(=CC=C1/C=C/C2=NC3=C([N]2C)C(=O)N(C(=O)N3C)C)OC
• InChI: 1S/C17H17BrN4O3/c1-20-13(8-6-10-5-7-12(25-4)11(18)9-10)19-15-14(20)16(23)22(3)17(24)21(15)2/h5-9H,1-4H3/b8-6+
• InChIKey: AJXUNUBTDNCKNZ-SOFGYWHQSA-N

Properties

• Density: 1.513g/cm³ (Cal.)
• Boiling point: 607.354°C at 760 mmHg (Cal.)
• Flash point: 321.117°C (Cal.)