N-Nitrosoisonipecotic acid

Base Information

• Chemical Name: N-Nitrosoisonipecotic acid
• CAS No.: 6238-69-3
• Molecular Formula: C₆H₁₀N₂O₃
• Molecular Weight: 158.157
• UNII: C15799O03Y
• DSSTox Substance ID: DTXSID60977941
• Nikkaji Number: J13.704I
• Wikidata: Q27275043
• ChEMBL ID: CHEMBL168012
• Mol file: 6238-69-3.mol

Synonyms:nitrosoisonipecotic acid

Chemical Property of N-Nitrosoisonipecotic acid

Chemical Property:

• Vapor Pressure: 3.43E-07mmHg at 25°C
• Refractive Index: 1.5010 (estimate)
• Boiling Point: 390.7°C at 760 mmHg
• Flash Point: 190.1°C
• PSA: 69.97000
• Density: 1.46g/cm³
• LogP: 0.40230
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 158.06914219
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: C1CN(CCC1C(=O)O)N=O

Technology Process of N-Nitrosoisonipecotic acid

There total 2 articles about N-Nitrosoisonipecotic acid 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:

→ N-nitroso-isonipecotic acid (6238-69-3,67659-29-4,67659-30-7)

Guidance literature:

With hydrogenchloride; sodium nitrite;

Reference yield:

→ N-nitroso-isonipecotic acid (6238-69-3,67659-29-4,67659-30-7)

Guidance literature:

Isonipecotinsaeure-hydrochlorid, wss. NaNO2;

Reference yield:

N-nitroso-isonipecotic acid (6238-69-3,67659-29-4,67659-30-7) → isonipecotic acid (498-94-2)

Guidance literature:

With perchloric acid; ammonium sulfamate; sodium thiocyanide; at 50 ℃; Rate constant; piperidinium perchlorate, 18h; transnitrosating studies;

DOI:10.1021/jo01312a022

Downstream raw materials:

isonipecotic acid

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