Acetyl-β-methylcholine bromide - ≥99% , CAS No.333-31-3

CAS: 333-31-3 Cat. No.: A100823 分子式: C₈H₁₈BrNO₂ 分子量: 240.14 EC番号: 206-372-2

GRADE & PURITY ≥99%

Synonyms

[2-(acetyloxy)propyl]trimethylazanium bromide | Methacholine bromide | AS-57368 | D91277 | HY-A0083B | 2-Acetoxypropyltrimethylammonium bromid | 1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester | SCHEMBL2349212 | (2-Hydroxypropyl)Trimethylammon

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

[2-(acetyloxy)propyl]trimethylazanium bromide | Methacholine bromide | AS-57368 | D91277 | HY-A0083B | 2-Acetoxypropyltrimethylammonium bromid | 1-Pyrrolidinecarboxylic acid, 3-formyl-, phenylmethyl ester | SCHEMBL2349212 | (2-Hydroxypropyl)Trimethylammon

仕様と純度

≥99%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

純度

≥99%

名前と識別子

パブケム・シド

504756132

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756132

カノニカル・スマイル

CC(C[N+](C)(C)C)OC(=O)C.[Br-]

IUPAC Name

2-acetyloxypropyl(trimethyl)azanium;bromide

InChIKey

MMVPLEUBMWUYIB-UHFFFAOYSA-M

INCHI

1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1

異性体SMILES

CC(C[N+](C)(C)C)OC(=O)C.[Br-]

WGKドイツ

3

分子量

240.14

Reaxy-Rn

6098010

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6098010&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 融点（°C）: 150-152°C
• 分子量: 240.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 239.052 Da
• Monoisotopic Mass: 239.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥99% 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 333-31-3, the molecular formula is C8H18BrNO2, and the molecular weight is 240.14 g/mol. InChIKey MMVPLEUBMWUYIB-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.