1,3-Dimethyl-8-Pyridin-3-Yl-7H-Purine-2,6-Dione
[CAS# 1029-62-5]

Identification

• Name: 1,3-Dimethyl-8-Pyridin-3-Yl-7H-Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-8-(3-Pyridyl)-7H-Purine-2,6-Dione; 1,3-Dimethyl-8-(3-Pyridyl)-7H-Purine-2,6-Quinone; Stock4s-13966
• Molecular Formula: C₁₂H₁₁N₅O₂
• Molecular Weight: 257.25
• CAS Registry Number: 1029-62-5
• SMILES: C1=NC=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)7-4-3-5-13-6-7/h3-6H,1-2H3,(H,14,15)
• InChIKey: XUYWNICQFANXQY-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 552.805°C at 760 mmHg (Cal.)
• Flash point: 288.127°C (Cal.)