Hexyltrimethylammonium Bromide - ≥98%(T) , CAS No.2650-53-5

CAS: 2650-53-5 Cat. No.: H157080 Peso molecular: 224.19 Número EC: 629-299-1

GRADE & PURITY ≥98%(T)

Synonyms

NSC97228 | NSC-97228 | NSC 97228 | D90893 | SY106086 | 1-Hexanaminium, N,N,N-trimethyl-, bromide (1:1) | Hexyltrimethylammonium bromide | HY-W099682 | SCHEMBL321189 | AS-67325 | HEXYLTRIMETHYLAZANIUM BROMIDE | 1-Hexanaminium,N,N-trimethyl-, bromide | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC97228 | NSC-97228 | NSC 97228 | D90893 | SY106086 | 1-Hexanaminium, N, N, N-trimethyl-, bromide (1:1) | Hexyltrimethylammonium bromide | HY-W099682 | SCHEMBL321189 | AS-67325 | HEXYLTRIMETHYLAZANIUM BROMIDE | 1-Hexanaminium, N, N-trimethyl-, bromide | DTXS

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488196518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196518
• Sonrisas canónicas: CCCCCC[N+](C)(C)C.[Br-]
• IUPAC Name: hexyl(trimethyl)azanium;bromide
• InChIKey: JYVPKRHOTGQJSE-UHFFFAOYSA-M
• INCHI: 1S/C9H22N.BrH/c1-5-6-7-8-9-10(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCC[N+](C)(C)C.[Br-]
• WGK Alemania: 3
• Peso molecular: 224.19
• Reaxy-Rn: 3913229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913229&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: Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Organic cation - 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: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Soluble in Methanol
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 177-180℃
• Peso molecular: 224.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 223.094 Da
• Monoisotopic Mass: 223.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 71.300
• 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. Yazhou Qin, Dewang Fang, Yulun Wu, Yuanzhao Wu, Weixuan Yao.  (2023)  Controllable Preparation of Gold Nanocrystals with Different Porous Structures for SERS Sensing.  MOLECULES,  28  (5): (2316).  [PMID:36903564] [10.3390/molecules28052316]

2. Wenfei Zhao, Xu Jing, Yaqin Tian, Cuiping Feng.  (2020)  Magnetic Fe3O4 @ porous activated carbon effervescent tablet-assisted deep eutectic solvent-based dispersive liquid–liquid microextraction of phenolic endocrine disrupting chemicals in environmental water.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.105416]

3. 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]

4. 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]