Basic information
- CAS
13177-41-8- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
DIROHOMJLWMERM-UHFFFAOYSA-N- Molecular formula
- C23H49NO3S
- Average molar mass
- 419.7 g/mol
- Monoisotopic mass
- 419.3433156
Overview
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Names & identifiers
- Preferred name
- N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
- IUPAC
- 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate
- English name
- 3-(Dimethyloctadecylazaniumyl)propane-1-sulfonate
- Molecular formula
- C23H49NO3S
- Molecular weight
- 419.71
Names & synonyms
N-Octadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonateDimethyloctadecyl(3-sulphopropyl)ammonium hydroxide1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner saltDTXSID1010154373(N,NDimethyloctadecylammonio)propanesulfonateRefChem:830870DTXCID601473721Dimethyloctadecyl(3sulphopropyl)ammonium hydroxide1Octadecanaminium, N,NdimethylN(3sulfopropyl), inner salt1Octadecanaminium, N,NdimethylN(3sulfopropyl), hydroxide, inner salt236-124-9
Show more names
SB-18SB3-18MGC138332RALUFON (R) DSDKFZp686L19178Einecs 236-124-9Stearyl sultaine
13177-41-83-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonateSulfobetaine 18Stearyl sulfobetaine3-(N,N-Dimethyloctadecylammonio)propanesulfonateSulfobetaine-183-[dimethyl(octadecyl)ammonio]propane-1-sulfonate
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionBeige hygroscopic powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 257 · 257-260 °C (dec.) (lit.)
- Flash point
- 110 °C · 110 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- color
- white
- BRN
- 4152035 · 4152035
- InChI
- 1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3
- InChIKey
- DIROHOMJLWMERM-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC[N](C)(C)CCCS(O)(=O)=O
- CAS DataBase Reference
- 13177 · 13177-41-8(CAS DataBase Reference)
- FDA UNII
- 4 NE23A2MJR · 4NE23A2MJR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
REACH registered substance: Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide (EC: 236-124-9)
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2923.90.0100
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt: ACTIVE
Applications
Uses3-(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.
General Description3-(N,N-Dimethyloctadecylammonio)propanesulfonate is a zwitterionic surfactant, useful in membrane solubilization studies. It does not absorb UV light, hence interference with spectrophotometric analysis of proteins can be omitted.
Upstream & downstream products
Upstream raw materials
Suppliers64 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖南腾峪新材料有限公司1822-9738810 18229738810 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
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Compound notes
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