8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 151539-37-6]

Identification

• Name: 8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Methoxy-2,5-Dimethyl-Phenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(4-Methoxy-2,5-Dimethylphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(4-Methoxy-2,5-Dimethyl-Phenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Quinone
• Molecular Formula: C₂₂H₂₈N₄O₃
• Molecular Weight: 396.49
• CAS Registry Number: 151539-37-6
• SMILES: C1=C(C(=CC(=C1OC)C)/C=C/C2=NC3=C([NH]2)C(N(C(N3CCC)=O)CCC)=O)C
• InChI: 1S/C22H28N4O3/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)23-18(24-20)9-8-16-12-15(4)17(29-5)13-14(16)3/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)/b9-8+
• InChIKey: NQVKNUOSPJBNIG-CMDGGOBGSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 617.934°C at 760 mmHg (Cal.)
• Flash point: 327.515°C (Cal.)