Didodecyl dimethyl ammonium chloride - ≥80% , CAS No.3401-74-9

CAS: 3401-74-9 Cat. No.: D1492209 Molecular Weight: 418.19 EC Number: 222-274-2

GRADE & PURITY ≥80%

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usage: It has excellent anti-static and anti-corrosion properties, good dispersion, emulsification, and foaming effects, and can also be used as an additive in the production of napkins and toilet paper

Specifications

Specifications & Purity

≥80%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥80%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-]
• IUPAC Name: didodecyl(dimethyl)azanium;chloride
• InChIKey: WLCFKPHMRNPAFZ-UHFFFAOYSA-M
• INCHI: 1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-]
• RTECS: JR2120000
• Molecular Weight: 418.19
• Reaxy-Rn: 3919488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 131°C
• Molecular Weight: 418.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 22
• Exact Mass: 417.41 Da
• Monoisotopic Mass: 417.41 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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2. Le Ma, Xiansheng Li, Xuehan Chen, Jingyu Li, Pengfei Liu, Changting Wei, Qingshan Ma, Leimeng Xu, Wenhua Zhang, Jizhong Song.  (2023)  Bidentate oxalate ion enhancing water-resistant stability and exciton recombination behavior of blue CsPb(Br/Cl)3 quantum dots.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145732]

3. Xiaobo Hu, Yanqiao Xu, Jiancheng Wang, Jiaxin Ma, Lianjun Wang, Wan Jiang.  (2022)  Synergistic Effects of Surface Ligand Engineering and Double Matrices Protecting Enable Ultrastable and Highly Emissive Blue/Cyan Perovskite Nanocrystal Films for Multifunctional Applications.  Laser & Photonics Reviews,  17  (2): (2200651).  [PMID:] [10.1002/lpor.202200651]

4. Jiaqi Li, Yingyi Nong, Jisong Yao, Leimeng Xu, Zhi Yang, Shalong Wang, Jizhong Song.  (2024)  Efficient Deep-Blue (465 nm) Perovskite Quantum Dot-Based Light-Emitting Diodes via Triphenylamine Derivative Tailored Hole Transport Engineering.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202412367]

5. Yilei Zhang, Di Wen, Min Wang, Tianwei Zhang, Kun Cao, Rong Chen.  (2025)  Atomic-scale passivation strategy for stabilizing tricolor perovskite quantum dots with enhanced photoluminescence.  Journal of Information Display,      [PMID:] [10.1080/15980316.2025.2492615]

6. Meng-Xin Li, Jin-Zhao Huang, Kai-Zheng Song, Wan-Ying Yao, Feng-Lei Jiang.  (2025)  Stable Blue CsPbBr3 Perovskite Nanocrystals with Near-Unity Photoluminescence Quantum Yield by Surface Ligand Engineering.  ACS Applied Materials & Interfaces,      [PMID:40241375] [10.1021/acsami.5c02501]

7. Xiuting Wu, Tianjun Hu, Qingsong Shan, Hong Zhong, Yuqin Su, Linxiang Yang, Beichen Yuan, Junhui Dai, Yuhao Zhang, Qiangyu Dai, Xiaoming Li, Haibo Zeng.  (2026)  Ligand-Mediated Intergrain Isolation Strategy for Narrow-Emission Deep-Blue Perovskite Quantum Dot Light-Emitting Diodes.  ACS Photonics,      [PMID:] [10.1021/acsphotonics.6c00072]

8. Yanqing Zu, Run Gan, Lixia Jing, Bing Yang, Binglin Zeng, Liru Yuan, Peitao Liu, Xiaodong Li, Ailing Feng, Lei Zhou.  (2026)  Defect-passivated Te-doped Cs2HfCl6 perovskite microcrystals with high efficiency and robust stability for X-ray imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.175673]