3-(4-Chlorophenyl)-3,9-Dihydro-1-Propyl-1H-Purine-2,6-Dione
[CAS 136145-07-8]

Identification

• Name: 3-(4-Chlorophenyl)-3,9-Dihydro-1-Propyl-1H-Purine-2,6-Dione
• Synonyms: 3-(4-Chlorophenyl)-1-Propyl-7H-Purine-2,6-Quinone; Zinc00005094; 3-(4-Chlorophenyl)-1-Propyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₄H₁₃ClN₄O₂
• Molecular Weight: 304.74
• CAS Registry Number: 136145-07-8
• SMILES: C3=C(N1C2=C(C(=O)N(C1=O)CCC)[NH]C=N2)C=CC(=C3)Cl
• InChI: 1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)
• InChIKey: GVTLDPJNRVMCAL-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 562.595°C at 760 mmHg (Cal.)
• Flash point: 294.047°C (Cal.)