69696-98-6

Basic information

• Product Name: N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE)
• Synonyms: N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE);Hexamethylenebis-(tributylammonium bromide)
• CAS NO: 69696-98-6
• Molecular Formula: 2Br*C₃₀H₆₆N₂
• Molecular Weight: 614.68
• Mol File: 69696-98-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE)(CAS DataBase Reference)
• NIST Chemistry Reference: N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE)(69696-98-6)
• EPA Substance Registry System: N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE)(69696-98-6)

Safety Data

• Hazardous Substances Data: 69696-98-6(Hazardous Substances Data)

Usage

General Description

N,N,N,N'',N'',N''-Hexabutyl-1,6-hexanediaminium dibromide is a chemical compound with the molecular formula C20H42Br2N2. It is a quaternary ammonium compound with six butyl groups attached to the nitrogen atoms of a 1,6-hexanediamine molecule. N,N,N,N'',N'',N''-HEXABUTYL-1,6-HEXANEDIAMINIUM DIBROMIDE) is commonly used as a phase transfer catalyst in organic synthesis, especially in reactions that involve the transfer of a reactant from one phase to another. It is also used as a surfactant, antimicrobial agent, and in pharmaceutical applications. The dibromide form of this compound indicates the presence of two bromine atoms, which can contribute to its antimicrobial properties. Overall, N,N,N,N'',N'',N''-Hexabutyl-1,6-hexanediaminium dibromide is a versatile chemical with various industrial and research applications.

Upstream product

• 629-03-8 1 ,6-dibromohexane 
• 102-82-9 tributyl-amine 

Relevant articles and documents

Refining the model to design α-chymotrypsin superactivators: The role of the binding mode of quaternary ammonium salts

A number of quaternary ammonium salts with bulky hydrophobic moieties are known to provoke the superactivation of α-chymotrypsin (α-CT) in aqueous solution. In particular, benzyl-substituted ammonium and dicationic ammonium-based salts have recently emerged as promising classes of compounds to induce α-CT superactivation and stabilization. Preliminary in silico modelling suggested the α-CT residue tryptophan 215 to be the major anchor point of these additives. In order to achieve a broader knowledge of the enzyme-additive interactions and to validate the modelling studies, new ammonium-based additives were designed and tested. The hydrophobic interaction resulted in being critical to improving superactivation, with [(2,3,5,6-tetramethyl-p-phenylene)dimethylene]bis[triethylammonium bromide] (bisEDuEAB) resulting as the most effective quaternary ammonium superactivating agent studied so far. Finally, a general agreement between in silico outcomes and kinetic parameters was observed, and data interpretation is discussed based on the proposed α-CT/additive binding modes. This journal is