Ethylhexadecyldimethylammonium bromide - ≥98% , CAS No.124-03-8

CAS: 124-03-8 Cat. No.: E111745 分子式: C₂₀H₄₄BrN 分子量: 378.47 Beilstein Registry Number: 3729134 EC番号: 204-672-8

GRADE & PURITY ≥98%

Synonyms

EHDAB | 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1) | J-005027 | Cetethyldimonium bromide | Cetyldimethylethylammonium bromide | Ethylhexadecyldimethylammonium bromide, >=98% (non-aqueous titration) | CETYLDIMETHYLETHYLAMMONIUM BROMIDE [MI] |

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Ethylhexadecyldimethylammonium bromide is a surfactant.

Specifications

同義語

EHDAB | 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1) | J-005027 | Cetethyldimonium bromide | Cetyldimethylethylammonium bromide | Ethylhexadecyldimethylammonium bromide, >=98% (non-aqueous titration) | CETYLDIMETHYLETHYLAMMONIUM BROMIDE [MI] |

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504753454
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753454
• カノニカル・スマイル: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• IUPAC Name: ethyl-hexadecyl-dimethylazanium;bromide
• InChIKey: VUFOSBDICLTFMS-UHFFFAOYSA-M
• INCHI: 1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
• 異性体SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• WGKドイツ: 3
• RTECS: BQ5425000
• 分子量: 378.47
• Beilstein: 3729134
• Reaxy-Rn: 3729134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3729134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)

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Vero (26788 Activities)

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INS1 (2867 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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ska Streptokinase A (5805 Activities)

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recA Protein RecA (2211 Activities)

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HSP90 (947 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 93 °C
• 引火点（°C）: 93°C
• 融点（°C）: 190°C
• 分子量: 378.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 377.266 Da
• Monoisotopic Mass: 377.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 198.000
• 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. Lingyun Kong, Siyao Wang, Mingzhou Yang, Yi Peng, Songxiang Zhu, Chaojie Miao, Yuanyuan Deng, Bo Yang.  (2025)  The impact of hydrophilic groups on the demulsification and interfacial behavior of cetyltrimethylammonium emulsified asphalt.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.144728]

2. Hao Liu, Yujie Lv, Jiawang Li, Le Kang, Menghui Chen, Langqun Tan, Xiaoshun Yao, Huipeng Wang, Minyue Zhang, Jianxiang Li, Jie Zhu, Chenggong Zhang, Jianyong Yu, Dequn Wu.  (2026)  Modular alginate-based hydrogels embedding multilayer nanofibers: A synergistic strategy for hemostasis, antibacterial, and immunomodulatory therapy.  CARBOHYDRATE POLYMERS,      [PMID:41713983] [10.1016/j.carbpol.2026.124977]