8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-39-8]

Identification

• Name: 8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Methoxy-2,5-Dimethyl-Phenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Purine-2,6-Dione; 8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Vinyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione; 8-[(E)-2-(4-Methoxy-2,5-Dimethyl-Phenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Xanthine
• Molecular Formula: C₂₃H₃₀N₄O₃
• Molecular Weight: 410.52
• CAS Registry Number: 151539-39-8
• SMILES: C1=C(C(=CC(=C1OC)C)/C=C/C2=NC3=C([N]2C)C(N(C(N3CCC)=O)CCC)=O)C
• InChI: 1S/C23H30N4O3/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(5)19(24-21)10-9-17-13-16(4)18(30-6)14-15(17)3/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+
• InChIKey: NYAGDHMTEWNZRA-MDZDMXLPSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 609.642°C at 760 mmHg (Cal.)
• Flash point: 322.5°C (Cal.)