(Carboxylatomethyl)dimethyl(octadecyl)ammonium

Base Information

• Chemical Name: (Carboxylatomethyl)dimethyl(octadecyl)ammonium
• CAS No.: 820-66-6
• Deprecated CAS: 136111-96-1,98093-59-5,98093-59-5
• Molecular Formula: C22H45 N O2
• Molecular Weight: 355.605
• European Community (EC) Number: 212-470-6
• NSC Number: 36343,9859
• UNII: 0J4V7PZ3Q6
• DSSTox Substance ID: DTXSID5061164
• Wikidata: Q27236851
• Mol file: 820-66-6.mol

Synonyms:Stearyl betaine;stearylbetaine;820-66-6;(Carboxylatomethyl)dimethyl(octadecyl)ammonium;Anfoterico SB;N-Stearylbetaine;Lonzaine 18S;Stearyldimethylbetaine;Stearyl dimethyl glycine;(Carboxymethyl)octadecyldimethylammonium hydroxide inner salt;UNII-0J4V7PZ3Q6;0J4V7PZ3Q6;1-Octadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt;NSC 9859;NSC-9859;EINECS 212-470-6;N,N-Dimethyl-N-octadecylammonioacetic acid inner salt;NSC 36343;NSC-36343;2-(dimethyl(octadecyl)ammonio)acetate;Ammonium, (carboxymethyl)dimethyloctadecyl-, hydroxide, inner salt;N-(Carboxymethyl)-N,N-dimethyl-1-octadecanaminium hydroxide, inner salt;1-Octadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt;1-Octadecanaminium,N-dimethyl-, hydroxide, inner salt;2-[dimethyl(octadecyl)azaniumyl]acetate;STEARYL BETAINE [INCI];SCHEMBL3858642;DTXSID5061164;NSC9859;NSC36343;AKOS040754088;Q27236851

Chemical Property of (Carboxylatomethyl)dimethyl(octadecyl)ammonium

Chemical Property:

• PSA: 40.13000
• LogP: 5.07420
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 355.345029678
• Heavy Atom Count: 25
• Complexity: 297

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)CC(=O)[O-]

Technology Process of (Carboxylatomethyl)dimethyl(octadecyl)ammonium

There total 2 articles about (Carboxylatomethyl)dimethyl(octadecyl)ammonium 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,N-dimethyl-n-octadecylamine (124-28-7) + sodium monochloroacetic acid (3926-62-3) → Octadecyldimethylbetaine (820-66-6)

Guidance literature:

With water;

Reference yield:

→ Octadecyldimethylbetaine (820-66-6)

Guidance literature:

Chloressigsaeure, N,N-Dimethyl-octadecylamin;

DOI:10.1246/bcsj.52.1967

upstream raw materials:

N,N-dimethyl-n-octadecylamine

sodium monochloroacetic acid