3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate
C33H55N3O4S
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Identification
- CAS Number
- 156679-41-3
- EC Number
- 421-130-8
- UN Number
- 3077
- Index Number
- 601-057-00-X
- PubChem CID
- 11685731
Physical-chemical properties
- Molecular Formula
- C33H55N3O4S
- Molar Mass
- 589.90 g/mol
- IUPAC Name
- 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate
Chemical Identifiers
- InChI
- InChI=1S/C26H47N3O.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,6-16,21-23H2,1-5H3;2-5H,1H3,(H,8,9,10)
- InChI Key
- RLPAVRZVJNPKLX-UHFFFAOYSA-N
Overview
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate (CAS 156679-41-3) is a quaternary ammonium compound with surfactant and antimicrobial properties. This complex quaternary ammonium salt represents a sophisticated molecular design combining multiple functional groups within a single structure. With a molecular formula of C33H55N3O4S and a molar mass of 589.9 g/mol, this compound features a long dodecyl alkyl chain typical of surfactant molecules, coupled with a dimethylamino benzoyl group that enhances its biological activity. The presence of the 4-methylbenzenesulfonate counterion contributes to the compound's solubility characteristics and overall stability profile. The molecule's amphiphilic nature, derived from its hydrophobic dodecyl chain and hydrophilic quaternary ammonium head group, makes it particularly effective as a surface-active agent. This structural arrangement is somewhat similar to other quaternary ammonium compounds like 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride, though with distinct functional group modifications that alter its performance characteristics. Safety considerations are paramount when handling this material, as it carries significant hazard classifications including Eye Damage Category 1 and Skin Sensitization Category 1, requiring appropriate personal protective equipment and handling procedures. The compound also presents environmental concerns with Aquatic Acute and Chronic toxicity classifications, necessitating careful waste management protocols. Primary industrial applications include specialized formulations in antimicrobial products, surface treatment applications, and advanced cleaning systems where both surfactant and biocidal properties are required. The compound's unique molecular structure makes it valuable in applications requiring persistent surface activity combined with antimicrobial efficacy. OYSI maintains reliable supply chains for this specialized quaternary ammonium compound to support European industrial customers.
Safety & Classification
Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | N-Dodecyl-[3-(4-dimethylamino)benzamido)-propyl]dimethylammoniumtosylat |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is a quaternary ammonium compound with surfactant properties, identified by CAS number 156679-41-3. This complex organic molecule has a molecular formula of C33H55N3O4S and a molecular weight of 589.9 g/mol. It contains both a quaternary ammonium cation with a long alkyl chain and a tosylate anion, giving it amphiphilic characteristics typical of surfactants and antimicrobial agents.
What are the physicochemical properties of 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
This quaternary ammonium compound is typically a solid at room temperature due to its ionic nature and high molecular weight of 589.9 g/mol. The presence of both hydrophilic quaternary ammonium groups and hydrophobic dodecyl chains suggests amphiphilic behavior with surface-active properties. The compound likely exhibits good solubility in polar solvents and demonstrates typical surfactant characteristics including foaming and emulsifying properties. Specific physical appearance and odor characteristics would depend on purity and formulation conditions.
What is 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate used for?
This quaternary ammonium compound is primarily used as a surfactant and antimicrobial agent in various industrial applications. Its amphiphilic structure makes it suitable for formulations requiring emulsification, solubilization, or surface tension reduction. Common applications include personal care products, industrial cleaning formulations, and antimicrobial preparations. The compound's cationic nature also makes it effective as a conditioning agent in cosmetic formulations and as a biocide in water treatment applications where antimicrobial activity is required.
How to handle 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate safely?
Safe handling requires appropriate personal protective equipment due to its Eye Dam. 1 and Skin Sens. 1 classifications. Wear chemical-resistant gloves, safety goggles with side shields, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation in work areas and avoid generating dust or aerosols. The compound can cause serious eye damage and skin sensitization, so immediate washing is essential after any contact. Handle in designated areas with emergency eyewash stations readily available.
How to store 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate correctly?
Store this compound in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture due to its ionic nature. Given its Aquatic Acute 1 and Aquatic Chronic 1 classifications, ensure storage areas have appropriate containment to prevent environmental release. Store away from strong oxidizing agents and acids that may react with the quaternary ammonium structure. Maintain storage temperatures below 25°C when possible to ensure product stability and prevent degradation.
What to do in case of contact with 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
Immediate action is critical due to the Eye Dam. 1 classification. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek immediate medical attention as serious eye damage can occur. For skin contact, wash thoroughly with soap and water and remove contaminated clothing. Due to Skin Sens. 1 classification, monitor for allergic reactions. If inhaled, move to fresh air immediately. In case of ingestion, rinse mouth and seek medical advice immediately without inducing vomiting.
How to dispose of 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate appropriately?
Disposal must comply with local and national environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The compound cannot be disposed of via normal waste streams or sewage systems due to its environmental hazards. Arrange disposal through licensed hazardous waste contractors who can handle quaternary ammonium compounds appropriately. Small quantities may require neutralization or specialized treatment before disposal. Always consult local environmental authorities and follow waste classification codes for proper disposal procedures.
How to transport 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
This compound is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, indicating moderate transport hazard. Use appropriate UN-specification packaging suitable for Class 9 materials with proper hazard labels and documentation. Vehicles must carry appropriate emergency response information and drivers require ADR certification. Ensure packages are properly marked with UN numbers and hazard diamonds including GHS05, GHS07, and GHS09 pictograms. Follow ADR regulations for loading, segregation, and route restrictions for Class 9 dangerous goods.
Is 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate subject to particular regulations?
This compound is subject to REACH regulation requiring registration for manufacture or import above 1 tonne annually in the EU. CLP regulation applies due to its Eye Dam. 1, Skin Sens. 1, and aquatic hazard classifications, requiring appropriate labeling with Danger signal word and GHS pictograms. It is not currently identified as a SVHC (Substance of Very High Concern). Biocide regulation may apply if used for antimicrobial purposes. Users must comply with occupational exposure limits and environmental discharge restrictions due to its aquatic toxicity.
Where to buy 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate in Europe?
OYSI serves as a reliable European distributor for this specialized quaternary ammonium compound, offering professional-grade chemicals to industrial customers across Europe. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this ADR Class 9 material. Our European network ensures efficient logistics while maintaining proper handling of this eye-damaging and environmentally hazardous substance. Contact OYSI directly for availability, packaging options, and delivery throughout European markets with full regulatory compliance.
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3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.