Hexadecyltrimethylammonium bisulfate - for ion pair chromatography, ≥99% , CAS No.68214-07-3

CAS: 68214-07-3 Cat. No.: H121244 Molecular Weight: 381.61 Beilstein Registry Number: 8398798 EC Number: 269-286-4

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

68214-07-3|Cetyltrimethylammonium hydrogensulfate|1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (1:1)|Hexadecyltrimethylammonium hydrogen sulfate|Hexadecyltrimethylammonium hydrogensulphate|N,N,N-Trimethylhexadecan-1-aminium hydrogensulfate|hexadecyl(trim

Storage

Room temperature

Shipped In

Normal

Overview

Hexadecyltrimethylammonium bisulfate is an ion pair reagent suitable for anionic separation sorted by carbon chain length.

Application：

Hexadecyltrimethylammonium bisulfate may be used as an electrolyte modifier in studying the effect of alkyltrimethylammonium ions on corrosion and electrochemical behavior of Pb-Ca-Sn alloy.

Specifications

Synonyms

68214-07-3 | Cetyltrimethylammonium hydrogensulfate | 1-Hexadecanaminium, N, N, N-trimethyl-, sulfate (1:1) | Hexadecyltrimethylammonium hydrogen sulfate | Hexadecyltrimethylammonium hydrogensulphate | N, N, N-Trimethylhexadecan-1-aminium hydrogensulfate | hexadecyl(trim

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• IUPAC Name: hexadecyl(trimethyl)azanium;hydrogen sulfate
• InChIKey: UCRJJNVFJGKYQT-UHFFFAOYSA-M
• INCHI: 1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• WGK Germany: 3
• Molecular Weight: 381.61
• Beilstein: 8398798
• Reaxy-Rn: 8398798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8398798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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

• Sensitivity: Hygroscopic
• Melt Point(°C): 260 °C
• Molecular Weight: 381.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 381.291 Da
• Monoisotopic Mass: 381.291 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 257.000
• 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

1. Yu Yongsheng, He Lin, Xu Junjie, Li Jiaming, Jiang Sida, Han Guanghui, Jiang Baojiang, Lei Wenjuan, Yang Weiwei, Hou Yanglong.  (2021)  A facile solution phase synthesis of directly ordering monodisperse FePt nanoparticles.  Nano Research,  15  (1): (446-451).  [PMID:] [10.1007/s12274-021-3499-4]