(R,S)-N-Nitrosoanabasine
[CAS# 1133-64-8]

Identification

• Name: (R,S)-N-Nitrosoanabasine
• Synonyms: 3-(1-Nitroso-2-Piperidyl)Pyridine; 3-(1-Nitroso-2-Piperidinyl)Pyridine; Stock1n-16275
• Molecular Formula: C₁₀H₁₃N₃O
• Molecular Weight: 191.23
• CAS Registry Number: 1133-64-8 (37620-20-5)
• SMILES: C1=CC=NC=C1C2N(CCCC2)N=O
• InChI: 1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2
• InChIKey: BXYPVKMROLGXJI-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 380.234°C at 760 mmHg (Cal.)
• Flash point: 183.759°C (Cal.)

References

• (1): P. M. Clayton, A. Cunningham and J. D. H. van Heemst. Quantification of four tobacco-specific nitrosamines in cigarette filter tips using liquid chromatography-tandem mass spectrometry, Anal. Methods, 2010, 2, 1085.