8-[(E)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-60-5]

Identification

• Name: 8-[(E)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)Vinyl]-7-Methyl-1,3-Dipropyl-Purine-2,6-Dione; 8-[(E)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)Vinyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione; 8-[(E)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Yl)Vinyl]-7-Methyl-1,3-Dipropyl-Xanthine
• Molecular Formula: C₂₂H₂₆N₄O₄
• Molecular Weight: 410.47
• CAS Registry Number: 151539-60-5
• SMILES: C2=C1OCCOC1=CC=C2/C=C/C3=NC4=C([N]3C)C(N(C(N4CCC)=O)CCC)=O
• InChI: 1S/C22H26N4O4/c1-4-10-25-20-19(21(27)26(11-5-2)22(25)28)24(3)18(23-20)9-7-15-6-8-16-17(14-15)30-13-12-29-16/h6-9,14H,4-5,10-13H2,1-3H3/b9-7+
• InChIKey: KLSBYYIOKGIPEL-VQHVLOKHSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 621.585°C at 760 mmHg (Cal.)
• Flash point: 329.723°C (Cal.)