Bromoacetylcholine bromide - ≥97% , CAS No.22004-27-9

CAS: 22004-27-9 Cat. No.: B353648 Formule: C₇H₁₅Br₂NO₂ Poids moléculaire: 305.01 PubChem CID: 11957478

GRADE & PURITY ≥97%

Synonyms

DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N.,N,N-trimethylethanaminium bromide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Bromoacetylcholine bromide is used as an affinity alkylating agent for nicotinic receptors.

Specifications

Synonymes

DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N.,N,N-trimethylethanaminium bromide

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528772987
• Sourires canoniques: C[N+](C)(C)CCOC(=O)CBr.[Br-]
• IUPAC Name: 2-(2-bromoacetyl)oxyethyl-trimethylazanium;bromide
• InChIKey: AFIIOPIEVQSYHH-UHFFFAOYSA-M
• INCHI: 1S/C7H15BrNO2.BrH/c1-9(2,3)4-5-11-7(10)6-8;/h4-6H2,1-3H3;1H/q+1;/p-1
• Isomères SMILES: C[N+](C)(C)CCOC(=O)CBr.[Br-]
• WGK Allemagne: 3
• RTECS: FZ9902000
• PubChem CID: 11957478
• Poids moléculaire: 305.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines Alkyl bromides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Alpha-halocarboxylic acid derivative - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organobromide - Organohalogen compound - Organic bromide salt - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: H2O: soluble
• Point de fusion (°C): 135-137° C
• Poids moléculaire: 305.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.945 Da
• Monoisotopic Mass: 302.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 131.000
• 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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