3-[(2S)-1-nitrosopiperidin-2-yl]pyridine

Base Information

• Chemical Name: 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
• CAS No.: 1133-64-8
• Molecular Formula: C₁₀H₁₃N₃O
• Molecular Weight: 191.233
• Hs Code.: 2933990090
• European Community (EC) Number: 690-100-6
• UNII: 37X858NS29
• DSSTox Substance ID: DTXSID401031248
• Nikkaji Number: J55.360C
• Mol file: 1133-64-8.mol

Synonyms:1133-64-8;3-[(2S)-1-nitrosopiperidin-2-yl]pyridine;Anabasine, 1-nitroso-;(S)-3-(1-Nitroso-2-piperidinyl)pyridine;1-Nitrosoanabasine;(R,s)-n-nitrosoanabasine;UNII-37X858NS29;Pyridine, 3-(1-nitroso-2-piperidinyl)-, (S)-;37X858NS29;(S)-3-(1-Nitrosopiperidin-2-yl)pyridine;(S)-N-Nitroso Anabasine (1.0 mg/ml in Acetonitrile);CCRIS 6651;N-Nitroso-2-(3'-pyridyl)piperidine;DTXSID401031248;N'-NITROSOANABASINE [IARC];AKOS006278430;EN300-8588464;Q27256704

Chemical Property of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Refractive Index: 1.4830 (estimate)
• Boiling Point: 380.2°Cat760mmHg
• PKA: 5.49±0.12(Predicted)
• Flash Point: 183.8°C
• PSA: 45.56000
• Density: 1.24g/cm³
• LogP: 2.22790
• Storage Temp.: ?20°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.105862047
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-N-NitrosoAnabasine,>98%ee ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(C(C1)C2=CN=CC=C2)N=O
• Isomeric SMILES: C1CCN([C@@H](C1)C2=CN=CC=C2)N=O
• Uses: The S-enantiomer metabolite of tobacco, a specific N-nitrosamines with carcinogenic activity.

Technology Process of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine

There total 1 articles about 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Anabasine (494-52-0) → N'-Nitrosoanabasine (1133-64-8)

Guidance literature:

With hydrogenchloride; sodium nitrite;

upstream raw materials:

Anabasine