8-[2-(1,3-Benzodioxol-5-Yl)Ethenyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 73908-79-9]

Identification

• Name: 8-[2-(1,3-Benzodioxol-5-Yl)Ethenyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Ethenyl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[2-(1,3-Benzodioxol-5-Yl)Vinyl]-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Vinyl]-1,3-Dimethyl-7H-Purine-2,6-Dione
• Molecular Formula: C₁₆H₁₄N₄O₄
• Molecular Weight: 326.31
• CAS Registry Number: 73908-79-9
• SMILES: C2=C1OCOC1=CC=C2/C=C/C3=NC4=C([NH]3)C(N(C(N4C)=O)C)=O
• InChI: 1S/C16H14N4O4/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)6-4-9-3-5-10-11(7-9)24-8-23-10/h3-7H,8H2,1-2H3,(H,17,18)/b6-4+
• InChIKey: AVFMEQZKKIUQAF-GQCTYLIASA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 601.858°C at 760 mmHg (Cal.)
• Flash point: 317.793°C (Cal.)