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

CAS: 2963-78-2 Cat. No.: B137167 Formule: C₉H₂₀NO₂Cl Poids moléculaire: 209.71 Numéro CE: 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

Vue d’ensemble

Butyrylcholine chloride is a substrate of BChE and AChE.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged

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

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCCC(=O)OCC[N+](C)(C)C.[Cl-]

WGK Allemagne

3

CAS alternatif

3922-86-9

Poids moléculaire

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
    • 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: 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
• 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Poids moléculaire: 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

Foire aux questions

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.