N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide

Base Information

• Chemical Name: N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide
• CAS No.: 42474-90-8
• Molecular Formula: C21H46NO2.Br
• Molecular Weight: 424.49900
• DSSTox Substance ID: DTXSID80567762
• Mol file: 42474-90-8.mol

Synonyms:N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide;42474-90-8;hexadecyl-bis(2-hydroxyethyl)-methylazanium;bromide;SCHEMBL7049878;DTXSID80567762;di(2-hydroxyethyl)-hexadecylmethyl ammonium bromide;N-cetyl-N,N-di(2-hydroxyethyl)methylammonium bromide;N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminiumbromide

Chemical Property of N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide

Chemical Property:

• PSA: 40.46000
• LogP: 1.90290
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 423.27119
• Heavy Atom Count: 25
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(CCO)CCO.[Br-]

Technology Process of N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide

There total 1 articles about N,N-Bis(2-Hydroxyethyl)-N-methylhexadecan-1-aminium bromide 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: 91.0%

N-Methyldiethanolamine (105-59-9) + hexadecanyl bromide (112-82-3) → bromure de cetyl methyl bis(hydroxyethyl-2) ammonium (42474-90-8)

Guidance literature:

In acetonitrile; for 24h; Heating;

DOI:10.5935/0103-5053.20160058

Reference yield:

bromure de cetyl methyl bis(hydroxyethyl-2) ammonium (42474-90-8) → hexadecylbis(2-hydroxyethyl)methylammonium (2,4-dichlorophenoxy)acetate

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / methanol / 0.5 h / 20 °C

2: methanol / 25 °C

With potassium hydroxide; In methanol;

DOI:10.5935/0103-5053.20160058

Reference yield:

bromure de cetyl methyl bis(hydroxyethyl-2) ammonium (42474-90-8) → hexadecylbis(2-hydroxyethyl)methylammonium (4-chloro-2-methylphenoxy)acetate

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / methanol / 0.5 h / 20 °C

2: methanol / 25 °C

With potassium hydroxide; In methanol;

DOI:10.5935/0103-5053.20160058

upstream raw materials:

N-Methyldiethanolamine

hexadecanyl bromide

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