N-Ethyl-N-nitrosobutylamine

Base Information

• Chemical Name: N-Ethyl-N-nitrosobutylamine
• CAS No.: 4549-44-4
• Molecular Formula: C₆H₁₄N₂O
• Molecular Weight: 130.19
• Hs Code.: 2928000090
• European Community (EC) Number: 627-593-4
• NSC Number: 135
• UNII: 8K383MZ3XR
• DSSTox Substance ID: DTXSID50196528
• Nikkaji Number: J35.115F
• Wikidata: Q27270658
• ChEMBL ID: CHEMBL166063
• Mol file: 4549-44-4.mol

Synonyms:N-ethyl-N-butylnitrosamine

Chemical Property of N-Ethyl-N-nitrosobutylamine

Chemical Property:

• Vapor Pressure: 0.244mmHg at 25°C
• Refractive Index: 1.4650 (estimate)
• Boiling Point: 213°Cat760mmHg
• Flash Point: 82.6°C
• PSA: 32.67000
• Density: 0.93g/cm³
• LogP: 1.78980
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 11.98g/L(24 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 75.5

Purity/Quality:

99%, ^*data from raw suppliers

N-Nitroso-N-ethylbutylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN(CC)N=O
• Uses: A nitrosoamine compound A nitrosoamine compound that shows carcinogenic effect.

Technology Process of N-Ethyl-N-nitrosobutylamine

There total 3 articles about N-Ethyl-N-nitrosobutylamine 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-ethyl-N-butylamine hydrochloride (61278-96-4) → N-nitroso-N-ethylbutylamine (4549-44-4)

Guidance literature:

With hydrogenchloride; sodium nitrite;

DOI:10.1021/jo01044a054

Reference yield:

N-ethylbutylamine (13360-63-9) → N-nitroso-N-ethylbutylamine (4549-44-4)

Guidance literature:

With hydrogenchloride; sodium nitrite;

Reference yield:

→ N-nitroso-N-ethylbutylamine (4549-44-4)

Guidance literature:

Ethyl-butyl-amin, NaNO2, HCl;

DOI:10.1021/je60032a031

upstream raw materials:

N-ethylbutylamine

N-ethyl-N-butylamine hydrochloride

Downstream raw materials:

1-Ethyl-1-butyl-2-<4-nitro-phenyl>-acetyl-hydrazin

1-Ethyl-1-butyl-hydrazin