N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Base Information

• Chemical Name: N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
• CAS No.: 15178-76-4
• Molecular Formula: C₁₃H₂₉NO₃S
• Molecular Weight: 279.444
• Hs Code.: 2923900090
• European Community (EC) Number: 626-362-5
• UNII: L4755UU7TU
• DSSTox Substance ID: DTXSID1074547
• Wikidata: Q27453730
• Mol file: 15178-76-4.mol

Synonyms:15178-76-4;Octyl sulfobetaine;N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate;3-(Dimethyl-octylazaniumyl)propane-1-sulfonate;N-Octylsulfobetaine;3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate;Zwittergent 3-08;3-(Dimethyl(octyl)ammonio)propane-1-sulfonate;Sulfobetaine-8;3-(N,N-Dimethyloctylammonio)propanesulfonate inner salt;3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE;L4755UU7TU;3-(Dimethyloctylammonio)propane-1-sulfonate;1-Octanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt;Sulfobetaine 8;1-Octanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt;SB3-8;C13H29NO3S;MFCD00036912;n-Octyl Sulfobetaine;3-[Dimethyl(n-octyl)ammonio]propane-1-sulfonate;UNII-L4755UU7TU;SCHEMBL61326;DTXSID1074547;C13-H29-N-O3-S;AKOS015912420;HY-W127621;AS-67335;3-(Octyldimethylammonio)-1-propanesulfonate;CS-0185824;D4247;3-(dimethyloctylazaniumyl)propane-1-sulfonate;D95433;A884064;J-008850;N-Octyl-N,N-Dimethyl-3-Ammonio-1- Propanesulfonate;Q27453730;3-(N,N-Dimethyloctcylammonio)propanesulfonate inner salt;3-(N,N-Dimethyloctylammonio)propanesulphonate inner salt;Dimethyl(n-octyl)(3-sulfopropyl)ammonium Hydroxide Inner Salt;Dimethyl(n-octyl)(3-sulfopropyl)ammonium hydroxide inner salt [for Biochemical Research]

Chemical Property of N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Chemical Property:

• Appearance/Colour: White solid
• Melting Point: 212-215 °C(lit.)
• PSA: 65.58000
• LogP: 3.43940
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 279.18681496
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

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

3-(N,N-Dimethyloctylammonio)propanesulfonate inner salt ^*data from reagent suppliers

Safty Information:

• 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:

• Canonical SMILES: CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Uses: 3-(N,N-Dimethyloctylammonio)propanesulfonate has been used in a study to assess correlations between surrogate nitrogenous organic precursors and C-, N-DBP formation. It has also been used in a study to investigate DNA binding site discrimination. Zwitterionic detergent; mild solubilizer of plasma membranes.

Technology Process of N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

There total 1 articles about N-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate 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: 67.0%

1,3-propanesultone (1120-71-4) + N,N-dimethyloctanamide (7378-99-6) → (octyldimethylammonio)propanesulfonate (15178-76-4)

Guidance literature:

In ethyl acetate; at 20 ℃; for 1.5h;

DOI:10.1055/s-2002-35215

upstream raw materials:

1,3-propanesultone

N,N-dimethyloctanamide

Refernces