8-[(E)-2-[4-(4-Bromobutoxy)Phenyl]Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
[CAS# 155272-07-4]

Identification

• Name: 8-[(E)-2-[4-(4-Bromobutoxy)Phenyl]Ethenyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-[4-(4-Bromobutoxy)Phenyl]Vinyl]-1,3-Diethyl-7-Methyl-Purine-2,6-Dione; 8-[(E)-2-[4-(4-Bromobutoxy)Phenyl]Vinyl]-1,3-Diethyl-7-Methylpurine-2,6-Dione; 8-[(E)-2-[4-(4-Bromobutoxy)Phenyl]Vinyl]-1,3-Diethyl-7-Methyl-Xanthine
• Molecular Formula: C₂₂H₂₇BrN₄O₃
• Molecular Weight: 475.38
• CAS Registry Number: 155272-07-4
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([N]2C)C(N(C(N3CC)=O)CC)=O)OCCCCBr
• InChI: 1S/C22H27BrN4O3/c1-4-26-20-19(21(28)27(5-2)22(26)29)25(3)18(24-20)13-10-16-8-11-17(12-9-16)30-15-7-6-14-23/h8-13H,4-7,14-15H2,1-3H3/b13-10+
• InChIKey: ZXLWUYGUMUAQQJ-JLHYYAGUSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 662.658°C at 760 mmHg (Cal.)
• Flash point: 354.563°C (Cal.)