Tetrahexylammonium hydrogensulfate(THAHS) - for ion pair chromatography, ≥99%(T) , CAS No.32503-34-7

CAS: 32503-34-7 Cat. No.: T106820 Molecular Weight: 451.75 Beilstein Registry Number: 4629729 EC Number: 251-069-0 PubChem CID: 11015848

GRADE & PURITY for Ion pair chromatography, ≥99%(T)

Synonyms

SY106363 | T3495 | AKOS025295146 | 1-Hexanaminium, N,N,N-trihexyl-, sulfate (1:1) | J-018764 | Tetrahexylammonium hydrogensulphate | Tetrahexylammonium hydrogensulfate | tetra-n-hexyl-ammonium hydrogensulphate | hydrogen sulfate;tetrahexylazanium | FT-074

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Lipophilic phase transfer catalyst. Most efficient catalyst in ruthenium-catalyzed reactions.

Specifications

Synonyms

SY106363 | T3495 | AKOS025295146 | 1-Hexanaminium, N, N, N-trihexyl-, sulfate (1:1) | J-018764 | Tetrahexylammonium hydrogensulphate | Tetrahexylammonium hydrogensulfate | tetra-n-hexyl-ammonium hydrogensulphate | hydrogen sulfate;tetrahexylazanium | FT-074

Specifications & Purity

for ion pair chromatography, ≥99%(T)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%(T)

Names and Identifiers

• Canonical Smiles: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;tetrahexylazanium
• InChIKey: RULHPTADXJPDSN-UHFFFAOYSA-M
• INCHI: 1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.OS(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 11015848
• Molecular Weight: 451.75
• Beilstein: 4629729

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 Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Organic cation - 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

• Solubility: Soluble in water (partly).,
• Sensitivity: Moisture sensitive
• Melt Point(°C): 96-103°C
• Molecular Weight: 451.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 451.37 Da
• Monoisotopic Mass: 451.37 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 271.000
• 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

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