8-[(E)-2-(4-Butoxyphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-45-6]

Identification

• Name: 8-[(E)-2-(4-Butoxyphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Butoxyphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Purine-2,6-Dione; 8-[(E)-2-(4-Butoxyphenyl)Vinyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione; 8-[(E)-2-(4-Butoxyphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Xanthine
• Molecular Formula: C₂₄H₃₂N₄O₃
• Molecular Weight: 424.54
• CAS Registry Number: 151539-45-6
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([N]2C)C(N(C(N3CCC)=O)CCC)=O)OCCCC
• InChI: 1S/C24H32N4O3/c1-5-8-17-31-19-12-9-18(10-13-19)11-14-20-25-22-21(26(20)4)23(29)28(16-7-3)24(30)27(22)15-6-2/h9-14H,5-8,15-17H2,1-4H3/b14-11+
• InChIKey: OJNKZLMFCCEFTA-SDNWHVSQSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 622.449°C at 760 mmHg (Cal.)
• Flash point: 330.245°C (Cal.)