Acetylcholine-d9 Chloride - ≥98 atom%,≥98% , CAS No.344298-95-9

CAS: 344298-95-9 Cat. No.: A353807 Summenformel: C₇H₇D₉ClNO₂ Molekulargewicht: 190.72 EG-Nummer: 803-554-9

GRADE & PURITY ≥98 atom%,≥98%

Synonyms

2-(Acetyloxy)-N,N,N,-trimethylethanaminium-d9 Chloride) | Acetylcholine-d9 Chloride | Acetylcholine-d9 (chloride) | Arterocoline-d9 | A935805 | [2-(acetyloxy)ethyl]tri(?H?)methylazanium chloride | J-019596 | DTXSID60661772 | 2-(Acetyloxy)-N,N,N-tris[(~2~H

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Acetylcholine-d9 Chloride is a deuterium labeled version of the cholinergic compound acetylcholine chloride .

Specifications

Synonyme

2-(Acetyloxy)-N,N,N,-trimethylethanaminium-d9 Chloride) | Acetylcholine-d9 Chloride | Acetylcholine-d9 (chloride) | Arterocoline-d9 | A935805 | [2-(acetyloxy)ethyl]tri(?H?)methylazanium chloride | J-019596 | DTXSID60661772 | 2-(Acetyloxy)-N,N,N-tris[(~2~H

Spezifikationen & Reinheit

≥98 atom%,≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom%,≥98%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chloride

InChIKey

JUGOREOARAHOCO-WWMMTMLWSA-M

INCHI

1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;

Isomere SMILES

[2H]C([2H])([2H])[N+](CCOC(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-]

Alternative CAS-Nummer

60-31-1（Unlabelled）

Molekulargewicht

190.72

Reaxy-Rn

3571875

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3571875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Ebene5 Cholines
          • Ebene6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: 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 - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Alcohol and Water
• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 137-145° C
• Molekulargewicht: 190.710 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 190.143 Da
• Monoisotopic Mass: 190.143 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• Isotope Atom Count: 9
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% the labelled isotope. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. 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 2–8 °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 chilled on wet ice. 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 344298-95-9, the molecular formula is C7H7D9ClNO2, and the molecular weight is 190.72 g/mol. InChIKey JUGOREOARAHOCO-WWMMTMLWSA-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.