Benzyldimethylundecylammonium chloride

Base Information

• Chemical Name: Benzyldimethylundecylammonium chloride
• CAS No.: 16576-95-7
• Molecular Formula: C20H36 N . Cl
• Molecular Weight: 325.966
• Hs Code.: 2923900090
• European Community (EC) Number: 240-634-7
• ChEMBL ID: CHEMBL3277500
• DSSTox Substance ID: DTXSID00937125
• Mol file: 16576-95-7.mol

Synonyms:Benzyldimethylundecylammonium chloride;16576-95-7;EINECS 240-634-7;benzyl-dimethyl-undecylazanium;chloride;SCHEMBL5088565;Benzenemethanaminium, N,N-dimethyl-N-undecyl-, chloride;CHEMBL3277500;DTXSID00937125;KDVOJISTAOBJDJ-UHFFFAOYSA-M;NS00053625;N-Benzyl-N,N-dimethylundecan-1-aminium chloride

Chemical Property of Benzyldimethylundecylammonium chloride

Chemical Property:

• Boiling Point: 387.4°Cat760mmHg
• Flash Point: 159.2°C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.79780
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 325.2536278
• Heavy Atom Count: 22
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyldimethylundecylammonium chloride

There total 2 articles about Benzyldimethylundecylammonium chloride 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:

bromoundecane (693-67-4) → Benzyldimethylundecylammonium chloride (16576-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: benzene

In ethanol; benzene;

DOI:10.1007/BF00761185

Reference yield:

N,N-dimethylundecylamine (17373-28-3) + benzyl chloride (100-44-7) → Benzyldimethylundecylammonium chloride (16576-95-7)

Guidance literature:

In benzene;

DOI:10.1007/BF00761185

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + Benzyldimethylundecylammonium chloride (16576-95-7) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethyl α-deuteriodiazoacetate (26697-95-0)

Guidance literature:

With [D]-sodium hydroxide; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol4003338

upstream raw materials:

N,N-dimethylundecylamine

benzyl chloride

bromoundecane

Downstream raw materials:

styrene

ethyl α-deuteriodiazoacetate