Cas no 1219178-72-9 (Benzyldimethyltetradecylammonium-d7 Chloride)

Benzyldimethyltetradecylammonium-d7 Chloride is a deuterated quaternary ammonium compound, where seven hydrogen atoms are replaced by deuterium, enhancing its utility in isotopic labeling studies. This compound is particularly valuable in NMR spectroscopy and mass spectrometry applications, as the deuterium substitution minimizes interference from proton signals, improving spectral clarity. Its structure, featuring a tetradecyl chain and a benzyl group, imparts surfactant properties, making it useful in research involving micelle formation or membrane interactions. The high isotopic purity and chemical stability of Benzyldimethyltetradecylammonium-d7 Chloride ensure reliable performance in analytical and mechanistic studies, particularly in pharmaceutical and biochemical research.
Benzyldimethyltetradecylammonium-d7 Chloride structure
1219178-72-9 structure
Product Name:Benzyldimethyltetradecylammonium-d7 Chloride
CAS No:1219178-72-9
MF:C23H42ClN
MW:375.082417964935
CID:1062644
Update Time:2025-10-27

Benzyldimethyltetradecylammonium-d7 Chloride Chemical and Physical Properties

Names and Identifiers

    • Benzyldimethyltetradecylammonium-d7 Chloride
    • [dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-dimethyl-tetradecylazanium,chloride
    • Arquad DM 14B90-d7
    • Cation M 2-100R-d7
    • Cyncal-d7
    • Dibactol-d7
    • Myristalkonium-d7 Chloride
    • Zeph-d7
    • Zephiramine-d7
    • Zephiramine-d7 Chloride
    • Inchi: 1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1/i15D,16D,17D,19D,20D,22D2;
    • InChI Key: OCBHHZMJRVXXQK-JKJUCWQGSA-M
    • SMILES: [Cl-].[N+](C)(C)(C([2H])([2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])CCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 374.34500

Experimental Properties

  • PSA: 0.00000
  • LogP: 3.96810

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Additional information on Benzyldimethyltetradecylammonium-d7 Chloride

Benzyldimethyltetradecylammonium-d7 Chloride: A Comprehensive Overview

Benzyldimethyltetradecylammonium-d7 Chloride (CAS No. 1219178-72-9) is a specialized quaternary ammonium salt with unique properties that make it highly valuable in various applications. This compound, also referred to as benzyldimethyltetradecylammonium chloride-d7, is a derivative of benzyl dimethyl tetradecyl ammonium chloride, where the benzene ring is fully deuterated (d7). The deuterated version of this compound is particularly useful in research and development settings where isotopic labeling is required for advanced spectroscopic analysis.

The molecular structure of benzyldimethyltetradecylammonium-d7 chloride consists of a benzyl group (C6D5CH2), two methyl groups (CH3), and a tetradecyl group (C14H29) attached to a central nitrogen atom, forming a quaternary ammonium cation. The anion counterpart is chloride (Cl?). The presence of the deuterated benzene ring introduces unique isotopic properties, which are leveraged in various scientific studies, including nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These properties make it an essential tool in the study of molecular dynamics, reaction mechanisms, and structural elucidation.

Recent advancements in materials science have highlighted the potential of benzyldimethyltetradecylammonium-d7 chloride in the development of advanced surfactants and antimicrobial agents. Its amphiphilic nature, combining hydrophobic alkyl chains with hydrophilic nitrogen-containing groups, enables it to form micelles and bilayers in aqueous solutions. This characteristic makes it highly effective in applications such as drug delivery systems, where it can encapsulate hydrophobic drugs and enhance their bioavailability. Furthermore, its ability to interact with biological membranes has been explored in the context of developing novel antiviral agents.

In the field of catalysis, benzyldimethyltetradecylammonium-d7 chloride has shown promise as a phase-transfer catalyst in organic synthesis. Its ability to facilitate the transfer of ions between immiscible phases has been utilized in reactions involving nucleophilic substitutions and reductions. Recent studies have demonstrated its effectiveness in accelerating reactions under mild conditions, reducing reaction times, and improving yields. This makes it a valuable asset in green chemistry initiatives aimed at developing sustainable synthetic methods.

The synthesis of benzyldimethyltetradecylammonium-d7 chloride involves a multi-step process that begins with the deuteriation of benzene to form deuterobenzene (C6D6). This is followed by alkylation to introduce the tetradecyl chain and subsequent quaternization with methyl groups. The final step involves ion exchange to replace the counterion with chloride. The deuteriation process is critical as it ensures the compound's suitability for isotopic labeling applications.

From an environmental perspective, benzyldimethyltetradecylammonium-d7 chloride exhibits biodegradability under specific conditions, making it less persistent in natural ecosystems compared to some other quaternary ammonium salts. However, its complete degradation depends on factors such as temperature, microbial activity, and pH levels. Ongoing research aims to optimize its environmental profile by exploring biodegradation pathways and assessing its impact on aquatic life.

In conclusion, benzyldimethyltetradecylammonium-d7 chloride (CAS No. 1219178-72-9) is a versatile compound with applications spanning multiple disciplines. Its unique isotopic properties make it indispensable in scientific research, while its chemical characteristics position it as a valuable tool in materials science and catalysis. As research continues to uncover new applications and improve its environmental profile, this compound is poised to play an increasingly significant role in both academic and industrial settings.

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