Tetrakis(decyl)ammonium bromide（TDAB） - for ion pair chromatography, ≥99% , CAS No.14937-42-9

CAS: 14937-42-9 Cat. No.: T120741 Peso molecular: 659.01 Beilstein Registry Number: 5842649 Número EC: 239-013-3

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

etra(decyl)ammonium Bromide

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Sinónimos

etra(decyl)ammonium Bromide

Especificaciones y pureza

for ion pair chromatography, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Grado

for Ion pair chromatography

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• IUPAC Name: tetrakis-decylazanium;bromide
• InChIKey: AHNISXOXSNAHBZ-UHFFFAOYSA-M
• INCHI: 1S/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• WGK Alemania: 3
• Peso molecular: 659.01
• Beilstein: 5842649

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

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 86.0 -90.0 °C
• Peso molecular: 659.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 36
• Exact Mass: 657.579 Da
• Monoisotopic Mass: 657.579 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 372.000
• 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

Referencias

1. Binwang Yang, Zhixiong Ye, Feiyu Lu, Jianna Yu, Jiaxu Liu, Xiuqing Zheng, Cheng Wang, Lian Duan, Zhijian Yang, Guoxing Jing, Wen Liu, Wenshan Li, Wenjie Liu.  (2024)  High Resolving Power Electrospray Ionization Ion Mobility Spectrometer Based on Fourier Deconvolution Multiplexing.  ANALYTICAL CHEMISTRY,      [PMID:39413295] [10.1021/acs.analchem.4c04549]