N'-Nitrosonornicotine

Base Information

• Chemical Name: N'-Nitrosonornicotine
• CAS No.: 16543-55-8
• Deprecated CAS: 53759-22-1,64162-57-8,64162-58-9,64162-58-9
• Molecular Formula: C₉H₁₁N₃O
• Molecular Weight: 177.206
• Hs Code.: 2933990090
• European Community (EC) Number: 635-909-7,803-309-6
• UNII: X656TZ86DX
• UN Number: 2810
• DSSTox Substance ID: DTXSID4021476
• Metabolomics Workbench ID: 49645
• NCI Thesaurus Code: C44414
• Nikkaji Number: J258.697E
• Wikidata: Q10859673,Q55135137
• Wikipedia: N-Nitrosonornicotine
• Mol file: 16543-55-8.mol

Synonyms:N'-nitrosonornicotine;N'-nitrosonornicotine, (+-)-isomer;N'-nitrosonornicotine, (S)-isomer;N-nitrosonor-nicotine;N-nitrosonornicotine;nitrosonornicotine

Chemical Property of N'-Nitrosonornicotine

Chemical Property:

• Appearance/Colour: white crystals
• Melting Point: 47 C
• Refractive Index: 1.642
• Boiling Point: 369.5°Cat760mmHg
• PKA: 5.16±0.12(Predicted)
• Flash Point: 177.3°C
• PSA: 45.56000
• Density: 1.28g/cm³
• LogP: 1.83780
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.090211983
• Heavy Atom Count: 13
• Complexity: 186
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

(2S)-N’-Nitrosonornicotine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)N=O)C2=CN=CC=C2
• Isomeric SMILES: C1C[C@H](N(C1)N=O)C2=CN=CC=C2
• Description: A nicotine alkaloid, this base has been detected in some Japanese cigarette tobaccos and also in Kirsu tobacco where it occurs in the fresh leaves that have been dried without fermentation. From these two sources it has been isolated at 1.1 and 1. 8 ppm levels respectively
• Uses: A tobacco alkaloid as risk factor of human cancer.

Technology Process of N'-Nitrosonornicotine

There total 1 articles about N'-Nitrosonornicotine 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:

nornicotine (494-97-3,13450-58-3) → N'-Nitrosonornicotine (16543-55-8,61601-78-3,84237-38-7)

Guidance literature:

With sodium nitrite;

upstream raw materials:

nornicotine