Stearalkonium bromide

Base Information

• Chemical Name: Stearalkonium bromide
• CAS No.: 22546-65-2
• Molecular Formula: C27H50 N . Br
• Molecular Weight: 468.605
• UNII: 40ICC0055K
• Wikidata: Q27258332
• Mol file: 22546-65-2.mol

Synonyms:Stearalkonium bromide;Morpan sbb;Stearyldimethylbenzylammonium bromide;octadecyldimethylbenzylammonium bromide;benzyldimethylstearylammonium bromide;Dimethylstearylbenzylammonium bromide;Stearylbenzyldimethylammonium bromide;Benzyldimethyloctadecylammonium bromide;stearyl dimethyl benzyl ammonium bromide;UNII-40ICC0055K;Octadecyldimethylbenzenemethanaminium bromide;40ICC0055K;22546-65-2;Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, bromide (1:1);SCHEMBL234173;Q27258332

Chemical Property of Stearalkonium bromide

Chemical Property:

• PSA: 0.00000
• LogP: 5.52850
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 19
• Exact Mass: 467.31266
• Heavy Atom Count: 29
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

Technology Process of Stearalkonium bromide

There total 3 articles about Stearalkonium 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: 93.0%

N,N-dimethyl-n-octadecylamine (124-28-7) + benzyl bromide (100-39-0) → N-benzyl-N,N-dimethyloctadecyl-1-ammonium bromide (22546-65-2)

Guidance literature:

In acetonitrile; at 60 ℃; for 3h; Large scale;

Reference yield: 71.0%

N,N'-dimethylbenzylamine (103-83-3) + 1-Bromooctadecane (112-89-0) → N-benzyl-N,N-dimethyloctadecyl-1-ammonium bromide (22546-65-2)

Guidance literature:

In ethanol; for 28h; Heating;

DOI:10.3390/12102341

Reference yield:

→ N-benzyl-N,N-dimethyloctadecyl-1-ammonium bromide (22546-65-2)

Guidance literature:

upstream raw materials:

N,N'-dimethylbenzylamine

1-Bromooctadecane

N,N-dimethyl-n-octadecylamine

benzyl bromide