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

CAS: 68214-07-3 Cat. No.: H137722 Peso molecular: 381.61 Beilstein Registry Number: 8398798 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756666
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756666
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 260 °C
• Peso molecular: 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

Referencias

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]