8-[(E)-2-(3-Fluorophenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 147700-43-4]

Identification

• Name: 8-[(E)-2-(3-Fluorophenyl)Ethenyl]-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-[(E)-2-(3-Fluorophenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Dione; 8-[(E)-2-(3-Fluorophenyl)Vinyl]-1,3-Dipropyl-7H-Purine-2,6-Quinone; (E)-1,3-Dipropyl-8-(2-(3-Fluorophenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₉H₂₁FN₄O₂
• Molecular Weight: 356.40
• CAS Registry Number: 147700-43-4
• SMILES: C1=CC=C(F)C=C1/C=C/C2=NC3=C([NH]2)C(N(CCC)C(=O)N3CCC)=O
• InChI: 1S/C19H21FN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)/b9-8+
• InChIKey: WKAOIIMNNQWXSP-CMDGGOBGSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 568.25°C at 760 mmHg (Cal.)
• Flash point: 297.467°C (Cal.)