1,3-Diethyl-8-[(E)-2-(3-Hydroxy-4-Methoxyphenyl)Ethenyl]-7-Methylpurine-2,6-Dione
[CAS# 155272-04-1]

Identification

• Name: 1,3-Diethyl-8-[(E)-2-(3-Hydroxy-4-Methoxyphenyl)Ethenyl]-7-Methylpurine-2,6-Dione
• Synonyms: 1,3-Diethyl-8-[(E)-2-(3-Hydroxy-4-Methoxy-Phenyl)Vinyl]-7-Methyl-Purine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(3-Hydroxy-4-Methoxyphenyl)Vinyl]-7-Methylpurine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(3-Hydroxy-4-Methoxy-Phenyl)Vinyl]-7-Methyl-Xanthine
• Molecular Formula: C₁₉H₂₂N₄O₄
• Molecular Weight: 370.41
• CAS Registry Number: 155272-04-1
• SMILES: C1=C(C(=CC=C1/C=C/C2=NC3=C([N]2C)C(N(C(N3CC)=O)CC)=O)OC)O
• InChI: 1S/C19H22N4O4/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)15(20-17)10-8-12-7-9-14(27-4)13(24)11-12/h7-11,24H,5-6H2,1-4H3/b10-8+
• InChIKey: NQIVNUMNTIZJFG-CSKARUKUSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 631.099°C at 760 mmHg (Cal.)
• Flash point: 335.477°C (Cal.)