N-Allyl-N-nitroso-3-butenylamine

Base Information

• Chemical Name: N-Allyl-N-nitroso-3-butenylamine
• CAS No.: 54746-50-8
• Molecular Formula: C₇H₁₂N₂O
• Molecular Weight: 140.185
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID50203206
• Nikkaji Number: J70.103C
• Wikidata: Q83076558
• Mol file: 54746-50-8.mol

Synonyms:3-butenyl(2-propenyl)nitrosamine;gamma-butenyl-(beta-propenyl)nitrosamine

Chemical Property of N-Allyl-N-nitroso-3-butenylamine

Chemical Property:

• Vapor Pressure: 0.0894mmHg at 25°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 232.5°C at 760 mmHg
• PKA: -4.71±0.70(Predicted)
• Flash Point: 94.4°C
• PSA: 32.67000
• Density: 0.89g/cm³
• LogP: 1.73190
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCN(CC=C)N=O
• Uses: 3-Butenyl(2-propenyl)nitrosamine is the principal volatile nitrosamine formed in the nitrosation of spermidine or spermine.

Technology Process of N-Allyl-N-nitroso-3-butenylamine

There total 1 articles about N-Allyl-N-nitroso-3-butenylamine 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:

→ γ-Butenyl-(β-propenyl)-nitrosamin (54746-50-8)

Guidance literature:

Nitrosierung;

DOI:10.1021/jf60197a028

Refernces