Hexadecyltrimethylammonium bisulfate - ≥98% , CAS No.68214-07-3

CAS: 68214-07-3 Cat. No.: H137722 分子式: CH₃(CH₂)₁₅N(HSO₄)(CH₃)₃ 分子量: 381.61 Beilstein Registry Number: 8398798 EC番号: 269-286-4

GRADE & PURITY ≥98%

Synonyms

AS-15226 | Hexadecyltrimethylammonium hydrogen sulphate | UCRJJNVFJGKYQT-UHFFFAOYSA-M | hexadecyl(trimethyl)ammonium hydrogen sulfate | hexadecyl(trimethyl)azanium;hydrogen sulfate | DTXSID0071253 | EINECS 269-286-4 | MFCD00134393 | N,N,N-Trimethylhexadec

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

Cetyltrimethylammonium hydrogensulfate is commonly used as a surfactant for organic transformation in the aqueous medium.

Some of the applications include:

· Rhodium(I)-catalyzed asymmetric hydrogenation of (Z)-methyl-α-acetamidocinnamate.

· Asymmetric palladium-catalyzed alkylation of 1,3-diphenyl-2-propenyl acetate with dimethyl malonate

Specifications

同義語

AS-15226 | Hexadecyltrimethylammonium hydrogen sulphate | UCRJJNVFJGKYQT-UHFFFAOYSA-M | hexadecyl(trimethyl)ammonium hydrogen sulfate | hexadecyl(trimethyl)azanium;hydrogen sulfate | DTXSID0071253 | EINECS 269-286-4 | MFCD00134393 | N,N,N-Trimethylhexadec

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504756666
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756666
• カノニカル・スマイル: 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
• 異性体SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• WGKドイツ: 3
• 分子量: 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
    • 分類 Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Hygroscopic
• 融点（°C）: 260 °C
• 分子量: 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

参考文献

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]