N-Nitrosomethylethylamine

Base Information

• Chemical Name: N-Nitrosomethylethylamine
• CAS No.: 10595-95-6
• Molecular Formula: C3H8 N2 O
• Molecular Weight: 88.1093
• Hs Code.: 2928000090
• European Community (EC) Number: 621-991-1
• UNII: 00RLM29Y3A
• DSSTox Substance ID: DTXSID6021036
• Nikkaji Number: J2.276D
• Wikidata: Q27155899
• ChEMBL ID: CHEMBL164852
• Mol file: 10595-95-6.mol

Synonyms:ethylmethylnitrosamine;ethylnitrosomethylamine;methylethylnitrosamine;nitrosoethylmethylamine;nitrosomethylethylamine

Chemical Property of N-Nitrosomethylethylamine

Chemical Property:

• Vapor Pressure: 19.3mmHg at 25°C
• Refractive Index: 1.4715 (estimate)
• Boiling Point: 154.4 ºC
• PKA: -3.39±0.70(Predicted)
• Flash Point: 47.2 ºC
• PSA: 32.67000
• Density: 0.96 g/cm³
• LogP: 0.61950
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 88.063662883
• Heavy Atom Count: 6
• Complexity: 46.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Nitrosoethylmethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38-40
• Safety Statements: 16-23-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CCN(C)N=O
• Uses: One of the N-nitrosamines found in the water sources and water treatment process. Carcinogen.

Technology Process of N-Nitrosomethylethylamine

There total 2 articles about N-Nitrosomethylethylamine 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:

(1R,2S)-N-nitrosoephedrine (7181-48-8) → N-nitrosomethylethylamine (10595-95-6) + benzaldehyde (100-52-7)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 40 ℃; for 168h;

DOI:10.1021/jo00146a003

Reference yield:

N-(nitrosoethyl)-N'-(2-hydroxyethyl)urea (96724-44-6) + methyl iodide (74-88-4) → N-nitrosomethylethylamine (10595-95-6) + (Z)-(methyl-O,N,N-azoxy)ethane (57497-34-4,97869-39-1)

Guidance literature:

With potassium ethoxide; Yield given. Multistep reaction; 1) Et₂O, THF, in the cold, 1 h, 2) r.t., overnight;

DOI:10.1021/jo00313a027

Reference yield:

N-nitrosomethylethylamine (10595-95-6) → N-Ethylmethylamine (624-78-2)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9380001311

upstream raw materials:

(1R,2S)-N-nitrosoephedrine

N-(nitrosoethyl)-N'-(2-hydroxyethyl)urea

methyl iodide

Downstream raw materials:

ethyl-methyl-nitro-amine

N-Ethylmethylamine

5-Nitro-2-hydroxy-benzal-methylethylhydrazin

Refernces

• 1、 Loeppky, R. N.,McKinley, W. A.,Hazlitt, L. G.,Outram, J. R.. "Base-Induced Fragmentation of β-Hydroxy Nitrosamines". . p. 4833 - 4841. Retrieved 2007/10/02.