1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Ethenyl]-7-Methylpurine-2,6-Dione
[CAS# 155271-91-3]

Identification

• Name: 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Ethenyl]-7-Methylpurine-2,6-Dione
• Synonyms: 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Vinyl]-7-Methyl-Purine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Vinyl]-7-Methylpurine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(2-Fluorophenyl)Vinyl]-7-Methyl-Xanthine
• Molecular Formula: C₁₈H₁₉FN₄O₂
• Molecular Weight: 342.37
• CAS Registry Number: 155271-91-3
• SMILES: C1=C(C(=CC=C1)/C=C/C2=NC3=C([N]2C)C(N(C(N3CC)=O)CC)=O)F
• InChI: 1S/C18H19FN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-10-12-8-6-7-9-13(12)19/h6-11H,4-5H2,1-3H3/b11-10+
• InChIKey: UCXCUJKVXMETCY-ZHACJKMWSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 541.865°C at 760 mmHg (Cal.)
• Flash point: 281.51°C (Cal.)