8-[(E)-2-(1,3-Benzodioxol-5-Yl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-62-7]

Identification

• Name: 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Vinyl]-7-Methyl-1,3-Dipropyl-Purine-2,6-Dione; 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Vinyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione; 8-[(E)-2-(1,3-Benzodioxol-5-Yl)Vinyl]-7-Methyl-1,3-Dipropyl-Xanthine
• Molecular Formula: C₂₁H₂₄N₄O₄
• Molecular Weight: 396.45
• CAS Registry Number: 151539-62-7
• SMILES: C2=C1OCOC1=CC=C2/C=C/C3=NC4=C([N]3C)C(N(C(N4CCC)=O)CCC)=O
• InChI: 1S/C21H24N4O4/c1-4-10-24-19-18(20(26)25(11-5-2)21(24)27)23(3)17(22-19)9-7-14-6-8-15-16(12-14)29-13-28-15/h6-9,12H,4-5,10-11,13H2,1-3H3/b9-7+
• InChIKey: WFCADBVZUZQONR-VQHVLOKHSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 606.413°C at 760 mmHg (Cal.)
• Flash point: 320.547°C (Cal.)