8-[(E)-2-(3,4-Dimethylphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
[CAS# 151539-30-9]

Identification

• Name: 8-[(E)-2-(3,4-Dimethylphenyl)Ethenyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Synonyms: 8-[(E)-2-(3,4-Dimethylphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Xanthine; 8-[(E)-2-(3,4-Dimethylphenyl)Vinyl]-7-Methyl-1,3-Dipropyl-Purine-2,6-Dione; 8-[(E)-2-(3,4-Dimethylphenyl)Vinyl]-7-Methyl-1,3-Dipropylpurine-2,6-Dione
• Molecular Formula: C₂₂H₂₈N₄O₂
• Molecular Weight: 380.49
• CAS Registry Number: 151539-30-9
• SMILES: C1=C(C(=CC=C1/C=C/C2=NC3=C([N]2C)C(N(C(N3CCC)=O)CCC)=O)C)C
• InChI: 1S/C22H28N4O2/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(5)18(23-20)11-10-17-9-8-15(3)16(4)14-17/h8-11,14H,6-7,12-13H2,1-5H3/b11-10+
• InChIKey: KMTYQFILBBQBBB-ZHACJKMWSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 583.392°C at 760 mmHg (Cal.)
• Flash point: 306.624°C (Cal.)