Basic information
- CAS
14933-08-5- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O- InChIKey
IZWSFJTYBVKZNK-UHFFFAOYSA-O- Molecular formula
- C17H38NO3S+
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.25724025
Overview
N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid is a quaternary ammonium ion resulting from the addition of a methyl group to the tertiary amino group of 3-[dodecyl(methyl)amino]propane-1-sulfonic acid. It is a conjugate acid of a lauryl sulfobetaine.
Names & identifiers
- Preferred name
- N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
- IUPAC
- dodecyl-dimethyl-(3-sulfopropyl)azanium
- English name
- N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
- Molecular formula
- C17H37NO3S
- Molecular weight
- 335.55
Names & synonyms
dodecyldimethyl(3-sulfopropyl)azaniumRefChem:36387514933-08-5N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-PropanesulfonateN,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminiumn,n-dimethyl-n-(3-sulfopropyl)-1-dodecanaminiumDB02643SCHEMBL60618CHEBI:41362PD0077953-(lauryldimethylammonio)propanesulfonic acidNS00013837
Show more names
SB-12SB3-12NDA-d25RALUFON DLAnzergent 3-12RALUFON (R) DLLAURYL SULTAINERALUFON (R) DCHSULFOBETAINE-12zwittergent3-12
3-(dodecyldimethylammonio)propanesulfonic acid3-(N,N-Dimethyllaurylammonio)propanesulfonate3-(N,N-dimethyldodecylammonio)propanesulfonic acid3-(N,N-dimethyllaurylammonio)propanesulfonic acid3-(N,N-DIMETHYLDODECYLAMMONIO) PROPANESULFONATEQ27093601n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonic acidN-Dodecyl-N,N-dimethyl-3-ammonio-1- propanesulfonate (SB-12)
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 347
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsHair conditioning; Skin conditioning; Foam boosting; Antistatic; Surfactant; Cleansing; Viscosity controlling
Physical DescriptionNearly white to white hygroscopic crystalline powder; [TCI America MSDS]
Physicochemical properties
- Melting point
- 250 · 250-260 °C (dec.)
- Flash point
- 110 °C · 110 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- form
- Powder
- color
- white
- Water Solubility
- 1 M · Soluble at 1M in water.
- Sensitive
- Hygroscopic
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
H302 (89.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [TCI America MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (89.5%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29239000
- risk_code
- 34-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi,Xn
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Uses & manufacturing
UsesZwitterionic detergent. [ChemIDplus]
Use ClassificationCosmetics -> Hair conditioning; Skin conditioning; Foam boosting; Antistatic; Surfactant; Cleansing; Viscosity controlling
General Manufacturing Information1-Dodecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt: ACTIVE
Applications
UsesWidely used as a surfactant in nanomaterial synthesis for the preparation of metal and mixed metallic particles, Also, for use in biochemical materials.
UsesA component of alkyl sulfobetaine-type detergents.
UsesZwittergent 3-12 Detergent is useful for protein solubilization. Used to remove target substances from solution via foam separation method.
UsesN-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate has been used in a study to assess protein structural change in a mixed system of ionic and zwitterionic surfactants. It has also been used in a study to investigate the interaction between ionic liquid and zwitterionic surfactant.
General DescriptionN-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate is a zwitterionic surfactant.
Upstream & downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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