n-Octyltrimethylammonium Bromide - ≥98%(T) , CAS No.2083-68-3

CAS: 2083-68-3 Cat. No.: N159334 Peso molecular: 252.24 Número EC: 629-531-1

GRADE & PURITY ≥98%(T)

Synonyms

NSC97247 | NSC-97247 | Octalone | O0163 | Ammonium, trimethyloctyl-, bromide | n-Octyltrimethylammonium bromide | Trimethyl-n-octylammonium Bromide | 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1) | DTXSID70943071 | N,N,N-trimethyloctan-1-aminium bromide

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC97247 | NSC-97247 | Octalone | O0163 | Ammonium, trimethyloctyl-, bromide | n-Octyltrimethylammonium bromide | Trimethyl-n-octylammonium Bromide | 1-Octanaminium, N, N, N-trimethyl-, bromide (1:1) | DTXSID70943071 | N, N, N-trimethyloctan-1-aminium bromide

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504754890
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754890
• Sonrisas canónicas: CCCCCCCC[N+](C)(C)C.[Br-]
• IUPAC Name: trimethyl(octyl)azanium;bromide
• InChIKey: XCOHAFVJQZPUKF-UHFFFAOYSA-M
• INCHI: 1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCCC[N+](C)(C)C.[Br-]
• WGK Alemania: 3
• RTECS: RG8275000
• Peso molecular: 252.24
• Reaxy-Rn: 3628448
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3628448&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• Descripción: 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: quaternary ammonium salt - bromide salt

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 217°C
• Peso molecular: 252.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 251.125 Da
• Monoisotopic Mass: 251.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 91.700
• 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

Referencias

1. Junjie Tong, Chen Dong, Miaosen Yao, Qichao Wang, Chenlei Shen, Yaxin Yue, Lei Yan, Yueyue Gao, Gentian Yue, Weifeng Zhang, Makhsud I. Saidaminov, Furui Tan.  (2025)  22.1% Carbon-Electrode Perovskite Solar Cells by Spontaneous Passivation and Self-Assembly of Hole-Transport Bilayer.  ACS Nano,      [PMID:40159862] [10.1021/acsnano.4c16916]

2. Shuisen He, Xueman Wang, Chenglong Wen, Yu Fan.  (2024)  N-octyltrimethylammonium bromide-assisted self-assembly of CoMo precursors to prepare CoMoS/Al2O3 catalysts for highly selective hydrodesulfurization of thiophene.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131387]

3. Juan Zhang, Qiqi Niu, Yuan Gao, Qichao Lv, Zhaoxia Dong, Zihao Yang.  (2024)  The aggregation structure and rheological properties of catanionic surfactant mixtures and potential applications in fracturing fluids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125118]

4. Xu Jing, Haoyue Xue, Xiaoyan Sang, Xiaowen Wang, Liyan Jia.  (2022)  Magnetic deep eutectic solvent-based dispersive liquid–liquid microextraction for enantioselectively determining chiral mefentrifluconazole in cereal samples via ultra-high-performance liquid chromatography.  FOOD CHEMISTRY,      [PMID:35597037] [10.1016/j.foodchem.2022.133220]

5. Yabin Ma, Chao Luo, Changling Zhan, Keli Wang, Jiandong He, Peng Gao, Zhuye Bi, Yingzhuang Ma, Qing Zhao.  (2025)  Crystallization-activated moisture barrier for high-tolerance manufacturing of perovskite solar cells.  Science Advances,  11  (43):   [PMID:41134895] [10.1126/sciadv.ady5703]

6. Jian Ao, Lingjun Bu, Yangtao Wu, Jingyi Zhu, Shiqing Zhou.  (2026)  Chain-Length Engineered QACs-Perchlorate Co-Assembly: A Floc-Enhanced Ultrafiltration Strategy for Selective and Efficient Perchlorate Removal.  Fundamental Research,      [PMID:] [10.1016/j.fmre.2026.03.006]