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 specialized quaternary ammonium surfactant represents a sophisticated molecular design combining cationic surface-active properties with functional benzamide groups. With its molecular formula C33H55N3O4S and molecular weight of 589.9 g/mol, this compound features a complex structure incorporating a dimethylamino-substituted benzoyl group linked to a quaternary ammonium center with a long dodecyl alkyl chain. The presence of the 4-methylbenzenesulfonate counterion provides enhanced stability and solubility characteristics compared to simpler halide salts. The compound's dual functionality stems from its quaternary ammonium head group, which imparts cationic surfactant properties, and the benzamide moiety, which can provide additional binding interactions and stability. This structural complexity differentiates it from simpler quaternary ammonium compounds like 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride, which lacks the aromatic benzamide functionality. Safety considerations are significant, as the compound is classified as causing serious eye damage (Eye Dam. 1) and skin sensitization (Skin Sens. 1), requiring appropriate GHS05 and GHS07 hazard pictograms. Environmental concerns are also present with acute and chronic aquatic toxicity classifications, necessitating careful handling and disposal protocols. Industrial applications typically include specialty surfactant formulations, antimicrobial treatments, and advanced cleaning systems where both surface activity and biocidal properties are desired. The compound may also find use in textile treatment applications and specialty coatings requiring cationic surface modification. OYSI maintains this specialized quaternary ammonium compound in its European technical chemicals portfolio for qualified 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 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 features a long alkyl chain combined with aromatic components and is classified as a hazardous substance with eye damage, skin sensitization, and aquatic toxicity properties.
What are the physicochemical properties of 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is a quaternary ammonium salt with a molecular weight of 589.9 g/mol. As a tosylate salt, it likely appears as a crystalline solid at room temperature. The presence of both hydrophilic quaternary ammonium groups and hydrophobic dodecyl chains suggests amphiphilic properties, making it potentially useful as a surfactant or antimicrobial agent with moderate water solubility.
What is 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate used for?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is primarily used as a specialty chemical in pharmaceutical and research applications. Its quaternary ammonium structure makes it suitable for antimicrobial formulations, surface treatments, and as an intermediate in organic synthesis. The compound may also serve in biotechnology applications, analytical chemistry, and as a phase-transfer catalyst in specialized industrial processes requiring cationic surfactant properties.
How to handle 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate safely?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate requires careful handling due to its Eye Dam. 1 and Skin Sens. 1 classifications. Always wear chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct skin and eye contact. Use appropriate engineering controls and ensure emergency eyewash stations are readily accessible. Handle with suitable tools to minimize direct contact.
How to store 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate correctly?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright and properly labeled. Store away from heat sources, direct sunlight, and moisture. Ensure storage areas have appropriate spill containment measures due to its aquatic toxicity classification. Maintain proper inventory management and restrict access to authorized personnel only.
What to do in case of contact with 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
In case of eye contact with 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate, immediately flush with plenty of water for at least 15 minutes and seek medical attention due to its Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water, and seek medical advice if irritation or sensitization occurs. If inhaled, move to fresh air. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.
How to dispose of 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate appropriately?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate must be disposed of as hazardous waste due to its environmental classifications (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste management companies for proper disposal. Never discharge to sewers, waterways, or soil. Follow local, national, and EU regulations for hazardous waste disposal. Neutralization or incineration at authorized facilities may be required. Maintain proper documentation of waste disposal activities.
How to transport 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport requires appropriate UN-specification packaging, proper labeling, and shipping documentation. Vehicles must carry appropriate placards and emergency response information. Drivers need ADR training certification. Ensure packages are properly secured and protected from damage during transit. Follow ADR regulations for quantity limitations and vehicle requirements.
Is 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate subject to specific regulations?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is subject to EU REACH registration requirements and CLP classification as indicated by its hazard classes (Eye Dam. 1, Skin Sens. 1, Aquatic Acute 1, Aquatic Chronic 1). It is not currently listed as an SVHC substance. Compliance with safety data sheet requirements, labeling according to GHS pictograms (GHS05, GHS07, GHS09), and proper risk assessment are mandatory for commercial use within the European Union.
Where to buy 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate in Europe?
3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate is available through OYSI, a specialized European distributor of high-quality chemical products. OYSI provides comprehensive support including technical documentation, safety data sheets, and regulatory compliance assistance. As a professional chemical supplier, OYSI ensures proper handling, packaging, and delivery throughout Europe while maintaining strict quality standards and regulatory compliance for this specialized quaternary ammonium compound.
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ADR Consulting for 3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium;4-methylbenzenesulfonate
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.