2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl Nicotinate
[CAS# 13425-39-3]

Identification

• Name: 2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl Nicotinate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; Nicotinic Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₁₅H₁₅N₅O₄
• Molecular Weight: 329.31
• CAS Registry Number: 13425-39-3
• EINECS: 236-544-2
• SMILES: C2=NC1=C(C(N(C(=O)N1C)C)=O)[N]2CCOC(=O)C3=CN=CC=C3
• InChI: 1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3
• InChIKey: ZWIAODBBEZGVPY-UHFFFAOYSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 580.125°C at 760 mmHg (Cal.)
• Flash point: 304.649°C (Cal.)