1,3-Dimethyl-8-Pyridin-4-Yl-7H-Purine-2,6-Dione
[CAS# 1088-64-8]

Identification

• Name: 1,3-Dimethyl-8-Pyridin-4-Yl-7H-Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-8-(4-Pyridyl)-7H-Purine-2,6-Dione; 1,3-Dimethyl-8-(4-Pyridyl)-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,3-Dimethyl-8-(4-Pyridinyl)- (9Ci)
• Molecular Formula: C₁₂H₁₁N₅O₂
• Molecular Weight: 257.25
• CAS Registry Number: 1088-64-8
• SMILES: C1=CN=CC=C1C2=NC3=C([NH]2)C(N(C(N3C)=O)C)=O
• InChI: 1S/C12H11N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-3-5-13-6-4-7/h3-6H,1-2H3,(H,14,15)
• InChIKey: JYDGYFVFOFEYJU-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 560.619°C at 760 mmHg (Cal.)
• Flash point: 292.852°C (Cal.)