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

CAS: 124-03-8 Cat. No.: E111745 Formula: C₂₀H₄₄BrN Molecular Weight: 378.47 Beilstein Registry Number: 3729134 EC Number: 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

Overview

Ethylhexadecyldimethylammonium bromide is a surfactant.

Specifications

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] |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504753454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753454

Canonical Smiles

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

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]

WGK Germany

3

RTECS

BQ5425000

Molecular Weight

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
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

OXTR Tclin Oxytocin receptor (1962 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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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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POLH Tchem DNA polymerase eta (21678 Activities)

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

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SNCA Tchem Alpha-synuclein (10960 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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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)

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Associated Targets(non-human)

Streptococcus (3973 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Streptococcus sp. 'group A' (3417 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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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 93 °C
• Flash Point(°C): 93°C
• Melt Point(°C): 190°C
• Molecular Weight: 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