8-[(E)-2-(4-Propoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 151539-43-4]

Identification

• Name: 8-[(E)-2-(4-Propoxyphenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(4-Propoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(4-Propoxyphenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,3-Dipropyl-8-(2-(4-Propoxyphenyl)Ethenyl)-, (E)-
• Molecular Formula: C₂₂H₂₈N₄O₃
• Molecular Weight: 396.49
• CAS Registry Number: 151539-43-4
• SMILES: C1=CC(=CC=C1/C=C/C2=NC3=C([NH]2)C(N(C(N3CCC)=O)CCC)=O)OCCC
• InChI: 1S/C22H28N4O3/c1-4-13-25-20-19(21(27)26(14-5-2)22(25)28)23-18(24-20)12-9-16-7-10-17(11-8-16)29-15-6-3/h7-12H,4-6,13-15H2,1-3H3,(H,23,24)/b12-9+
• InChIKey: NDCMNLITPRMCRS-FMIVXFBMSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 622.775°C at 760 mmHg (Cal.)
• Flash point: 330.443°C (Cal.)