Dyphylline Nicotinate
[CAS# 80181-40-4]

Identification

• Name: Dyphylline Nicotinate
• Synonyms: [3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-2-Hydroxy-Propyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl] Ester; Nicotinic Acid [3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl] Ester
• Molecular Formula: C₁₆H₁₇N₅O₅
• Molecular Weight: 359.34
• CAS Registry Number: 80181-40-4
• SMILES: C2=NC1=C(C(N(C(N1C)=O)C)=O)[N]2CC(COC(C3=CN=CC=C3)=O)O
• InChI: 1S/C16H17N5O5/c1-19-13-12(14(23)20(2)16(19)25)21(9-18-13)7-11(22)8-26-15(24)10-4-3-5-17-6-10/h3-6,9,11,22H,7-8H2,1-2H3
• InChIKey: BOCRQEFIMUCXEE-UHFFFAOYSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 654.263°C at 760 mmHg (Cal.)
• Flash point: 349.486°C (Cal.)