1,4-Dinicotinoylpiperazine
[CAS# 17433-19-1]

Identification

• Name: 1,4-Dinicotinoylpiperazine
• Synonyms: [4-(Pyridine-3-Carbonyl)Piperazin-1-Yl]-(3-Pyridyl)Methanone; [4-[Oxo-(3-Pyridyl)Methyl]-1-Piperazinyl]-(3-Pyridyl)Methanone; Pyridin-3-Yl-(4-Pyridin-3-Ylcarbonylpiperazin-1-Yl)Methanone
• Molecular Formula: C₁₆H₁₆N₄O₂
• Molecular Weight: 296.33
• CAS Registry Number: 17433-19-1
• EINECS: 241-457-8
• SMILES: C1=NC=CC=C1C(N2CCN(CC2)C(=O)C3=CC=CN=C3)=O
• InChI: 1S/C16H16N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h1-6,11-12H,7-10H2
• InChIKey: DZUBOXRMAQRSPL-UHFFFAOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 539.24°C at 760 mmHg (Cal.)
• Flash point: 279.922°C (Cal.)

References

• (1): Himansu Sekhar Sahoo and Dillip Kumar Chand. Conformation of N,N′-bis(3-pyridylformyl)piperazine and spontaneous formation of a saturated quadruple stranded metallohelicate, Dalton Trans., 2010, 39, 7223.