Propargylcholine (bromide) - ≥98% , CAS No.111755-76-1

CAS: 111755-76-1 Cat. No.: P985890 Fórmula: C₇H₁₄BrNO Peso molecular: 208.100 Número CE: 186-697-3

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C[N+](C)(CCO)CC#C.[Br-]
• IUPAC Name: 2-hydroxyethyl-dimethyl-prop-2-ynylazanium;bromide
• InChIKey: CDMUCZDUIQLBJB-UHFFFAOYSA-M
• INCHI: 1S/C7H14NO.BrH/c1-4-5-8(2,3)6-7-9;/h1,9H,5-7H2,2-3H3;1H/q+1;/p-1
• Peso molecular: 208.100

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: 1,2-aminoalcohols Haloacetylenes and derivatives Acetylides Organopnictogen compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - 1,2-aminoalcohol - Haloacetylene or derivatives - Acetylide - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 208.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 207.026 Da
• Monoisotopic Mass: 207.026 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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

Perguntas frequentes

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 2–8 °C, desiccated, 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 111755-76-1, the molecular formula is C7H14BrNO, and the molecular weight is 208.100 g/mol. InChIKey CDMUCZDUIQLBJB-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.