3-(1-Methylpyrrolidin-2-Yl)-1-Oxidopyridin-1-Ium
[CAS# 2820-55-5]

Identification

• Name: 3-(1-Methylpyrrolidin-2-Yl)-1-Oxidopyridin-1-Ium
• Synonyms: 3-(1-Methylpyrrolidin-2-Yl)-1-Oxido-Pyridin-1-Ium; 3-(1-Methyl-2-Pyrrolidinyl)-1-Oxidopyridin-1-Ium; (S)-3-(1-Methyl-2-Pyrrolidinyl)Pyridine 1-Oxide
• Molecular Formula: C₁₀H₁₄N₂O
• Molecular Weight: 178.23
• CAS Registry Number: 2820-55-5
• SMILES: C1=[N+](C=CC=C1C2N(CCC2)C)[O-]
• InChI: 1S/C10H14N2O/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9/h2,4,7-8,10H,3,5-6H2,1H3
• InChIKey: YHXKVHQFWVYXIC-UHFFFAOYSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 347.899°C at 760 mmHg (Cal.)
• Flash point: 164.204°C (Cal.)

References

• (1): Bee Lan Lee, Yanhong Gao, Ai Li New, Xu Wang, Woon-Puay Koh and Choon Nam Ong. A novel C-phenyl liquid chromatographic technique for rapid and simultaneous measurements of urinary cotinine and nicotine, Anal. Methods, 2010, 2, 878.