Nicotine N-oxide

Base Information

Chemical Name:Nicotine N-oxide
CAS No.:2820-55-5
Molecular Formula:C10H14 N2 O
Molecular Weight:178.234
Hs Code.:2933990090
UNII:8WQ7L5T6TJ
Nikkaji Number:J124.166D
Wikidata:Q27225607
Metabolomics Workbench ID:74851
ChEMBL ID:CHEMBL3126025
Mol file:2820-55-5.mol

Synonyms:Nicotine N-oxide;2820-55-5;(2'S)-NICOTINE 1-OXIDE;Nicotine-N-oxide;NICOTINE, 1-OXIDE;Nikotin-N-oxyd;Nikotin-N-oxyd [German];(S)-nicotine 1-N-oxide;8WQ7L5T6TJ;3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxidopyridin-1-ium;(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxide;BRN 4673416;Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)-;(S)-3-(1-Methylpyrrolidin-2-yl)pyridine 1-oxide;(S)-nicotine N-oxide;(s)-nicotine-N-oxide;UNII-8WQ7L5T6TJ;SCHEMBL1538466;CHEMBL3126025;3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-olate;CHEBI:132572;AKOS006278681;J-017000;Q27225607;3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxido-pyridin-1-ium;3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxo-1lambda(5)-pyridine

Suppliers and Price of Nicotine N-oxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(2''S)-Nicotine1-Oxide
50mg
$ 185.00

Cayman Chemical
(2'S)-Nicotine-1-oxide ≥98%
5mg
$ 131.00

Cayman Chemical
(2'S)-Nicotine-1-oxide ≥98%
1mg
$ 29.00

Cayman Chemical
(2'S)-Nicotine-1-oxide ≥98%
25mg
$ 508.00

Cayman Chemical
(2'S)-Nicotine-1-oxide ≥98%
10mg
$ 232.00

American Custom Chemicals Corporation
(2'S)-NICOTINE 1-OXIDE 95.00%
500MG
$ 1732.50

American Custom Chemicals Corporation
(2'S)-NICOTINE 1-OXIDE 95.00%
50MG
$ 721.88

AK Scientific
NicotineN-oxide
1mg
$ 139.00

Total 8 raw suppliers

Chemical Property of Nicotine N-oxide

Chemical Property:

Vapor Pressure:5.22E-05mmHg at 25°C
Boiling Point:347.9°Cat760mmHg
PKA:8.79±0.40(Predicted)
Flash Point:164.2°C
PSA：28.70000
Density:1.15g/cm³
LogP:1.81970
Storage Temp.:Refrigerator, Under Inert Atmosphere
XLogP3:0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.110613074
Heavy Atom Count:13
Complexity:174

Purity/Quality:

98%Min ^*data from raw suppliers

(2''S)-Nicotine1-Oxide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCCC1C2=C[N+](=CC=C2)[O-]
Isomeric SMILES:CN1CCC[C@H]1C2=C[N+](=CC=C2)[O-]
Description (2''S)-Nicotine-1-oxide is a metabolite of nicotine . It is formed when nicotine is metabolized in the liver by cytochrome P450 (CYP) isoform CYP2A6. (2''S)-Nicotine-1-oxide has been detected in human sperm and semen.
Uses Nicotine-1’-N-oxide is a derivative of nicotine found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1’-N-oxide has also been identified as metabolites of nicotine in animals and in man. The metabolism of nicotine i Nicotine-1’-N-oxide is a derivative of Nicotine (N412420) found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1’-N-oxide has also been identified as metabolites of nicotine in animals and in man. The metabolism of nicotine in man proceeds by alternative routes of oxidation of nitrogen to form nicotine-1’-N-oxide (both diastereomers) or cotinine. The ratio of these two products has been suggested as an indicator of bladder cancer in humans.

Technology Process of Nicotine N-oxide

There total 5 articles about Nicotine N-oxide 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: 96.0%