Butyrylcholine chloride - ≥98% , CAS No.2963-78-2

CAS: 2963-78-2 Cat. No.: B137167 Fórmula: C₉H₂₀NO₂Cl Peso molecular: 209.71 Número EC: 220-999-9

GRADE & PURITY ≥98%

Synonyms

AKOS027382272 | NSC70378 | NSC-70378 | SCHEMBL316716 | (3R,3aR,6S,6aR)-3,6-dimethoxy-hexahydrofuro[3,2-b]furan | (2-Hydroxyethyl)Trimethylammoniumchloride Butyrate | 2-butanoyloxyethyl(trimethyl)azanium chloride | 2-(butyryloxy)-n,n,n-trimethylethanaminiu

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Butyrylcholine chloride is a substrate of BChE and AChE.

Specifications

Sinónimos

AKOS027382272 | NSC70378 | NSC-70378 | SCHEMBL316716 | (3R,3aR,6S,6aR)-3,6-dimethoxy-hexahydrofuro[3,2-b]furan | (2-Hydroxyethyl)Trimethylammoniumchloride Butyrate | 2-butanoyloxyethyl(trimethyl)azanium chloride | 2-(butyryloxy)-n,n,n-trimethylethanaminiu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCC(=O)OCC[N+](C)(C)C.[Cl-]
• IUPAC Name: 2-butanoyloxyethyl(trimethyl)azanium;chloride
• InChIKey: VCOBYGVZILHVOO-UHFFFAOYSA-M
• INCHI: 1S/C9H20NO2.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCC(=O)OCC[N+](C)(C)C.[Cl-]
• WGK Alemania: 3
• CAS alternativo: 3922-86-9
• Peso molecular: 209.71
• Reaxy-Rn: 3917873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917873&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Fatty acid esters Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Fatty acid ester - Fatty acyl - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic salt - Organooxygen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: 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

Objetivos asociados (humanos)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 209.710 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 209.118 Da
• Monoisotopic Mass: 209.118 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2963-78-2, the molecular formula is C9H20ClNO2, and the molecular weight is 209.71 g/mol. InChIKey VCOBYGVZILHVOO-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.