7-Methyl-8-[(E)-2-(4-Propoxyphenyl)Ethenyl]-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-44-5]

Identification

• Name: 7-Methyl-8-[(E)-2-(4-Propoxyphenyl)Ethenyl]-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 7-Methyl-8-[(E)-2-(4-Propoxyphenyl)Vinyl]-1,3-Dipropyl-Purine-2,6-Dione; 7-Methyl-8-[(E)-2-(4-Propoxyphenyl)Vinyl]-1,3-Dipropylpurine-2,6-Dione; 7-Methyl-8-[(E)-2-(4-Propoxyphenyl)Vinyl]-1,3-Dipropyl-Xanthine
• Molecular Formula: C₂₃H₃₀N₄O₃
• Molecular Weight: 410.52
• CAS Registry Number: 151539-44-5
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([N]2C)C(N(C(N3CCC)=O)CCC)=O)OCCC
• InChI: 1S/C23H30N4O3/c1-5-14-26-21-20(22(28)27(15-6-2)23(26)29)25(4)19(24-21)13-10-17-8-11-18(12-9-17)30-16-7-3/h8-13H,5-7,14-16H2,1-4H3/b13-10+
• InChIKey: JTWPSKSASMNZAW-JLHYYAGUSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 614.195°C at 760 mmHg (Cal.)
• Flash point: 325.254°C (Cal.)