3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate

Base Information

• Chemical Name: 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate
• CAS No.: 13177-41-8
• Molecular Formula: C23H49NO3S
• Molecular Weight: 419.713
• Hs Code.: 2923900090
• European Community (EC) Number: 291-690-4,236-124-9
• UNII: 4NE23A2MJR
• DSSTox Substance ID: DTXSID101015437
• Mol file: 13177-41-8.mol

Synonyms:13177-41-8;3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate;Sulfobetaine 18;3-(N,N-Dimethyloctadecylammonio)propanesulfonate;3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate;3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate;3-(Stearyl-dimethylammonio)propanesulfonate;N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate;3-(N,N-Dimethylstearylammonio)propanesulfonate;EINECS 236-124-9;4NE23A2MJR;Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide;1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt;1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt;3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate;Stearyl sulfobetaine;Octadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt;C23H49NO3S;Stearyl sultaine;n-octadecyldimethyl(3-sulfopropyl)ammonium hydroxide;MFCD00043218;UNII-4NE23A2MJR;N-(Stearylamino)sulfobetaine;SCHEMBL61271;DTXSID101015437;C23-H49-N-O3-S;EINECS 291-690-4;AKOS016014933;CS-W009690;HY-W008974;AS-68069;FT-0758942;O0261;3-(N,N-dimethylstearylammonio)-propanesulfonate;3-(Octadecyldimethylammonio)-1-propanesulfonate;E78875;3-[Dimethyl(stearyl)ammonio]propane-1-sulfonate;10.14272/DIROHOMJLWMERM-UHFFFAOYSA-N.1;3-(Dimethyl-Octadecyl-Ammonio)Propane-1-Sulfonate;3-Sulfopropyl Octadecyl Dimethyl Ammonium Betaine;doi:10.14272/DIROHOMJLWMERM-UHFFFAOYSA-N.1;J-006050;N,N-Dimethyl-N-stearyl-N-(3-sulfopropyl)-ammonium betaine;Stearyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt;n-Octadecyldimethyl(3-sulfopropyl)ammonium hydroxide, inner salt;90459-46-4

Chemical Property of 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate

Chemical Property:

• Appearance/Colour: White Powder
• Melting Point: 257-260 °C (dec.)(lit.)
• Flash Point: 110 °C
• PSA: 65.58000
• LogP: 7.34040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 419.34331560
• Heavy Atom Count: 28
• Complexity: 416

Purity/Quality:

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

3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): src=/images/Xi.gif alt=Irritant >Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Uses: 3-(N,N-Dimethyloctadecylammonio)propanesulfonate in combination with bis(2-ethylhexyl) sulfosuccinate sodium salt (AOT) forms an organic mixed micellar phase, which may be used for the extraction of erythromycin from the aqueous phase. The extraction performance and other parameters affecting erythromycin solubilization are evaluated.

Technology Process of 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate

There total 2 articles about 3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate 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: 98.21%

1,3-propanesultone (1120-71-4) + N,N-dimethyl-n-octadecylamine (124-28-7) → N-octyldecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (13177-41-8)

Guidance literature:

In acetone; for 12h; Reflux;

DOI:10.1007/s11743-010-1212-9

Reference yield:

→ N-octyldecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (13177-41-8)

Guidance literature:

Propansulton, Methyldioctadecylamin;

upstream raw materials:

1,3-propanesultone

N,N-dimethyl-n-octadecylamine

Refernces

• 1、 -. "AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE". Page/Page column 40. . Retrieved 2012/12/13.