Choline hydroxide solution - 44 wt. % in H2O , CAS No.123-41-1

CAS: 123-41-1 Cat. No.: C166651 Fórmula: C₅H₁₅NO₂ Peso molecular: 121.18 Número CE: 204-625-1

GRAU & PUREZA 44 wt. % in H2O

Synonyms

(.BETA.-HYDROXYETHYL)TRIMETHYLAMMONIUM HYDROXIDE | 2-Hydroxyethyltrimethylammonium Hydroxide | Sincaline | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) | 2-hydroxyethyl(trimethyl)azanium;hydroxide | Bursine | KIZQNNOULOCVDM-UHFFFAOYSA-M | N,N

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

Application：

Choline hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.

Especificações

Sinónimos

(.BETA.-HYDROXYETHYL)TRIMETHYLAMMONIUM HYDROXIDE | 2-Hydroxyethyltrimethylammonium Hydroxide | Sincaline | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) | 2-hydroxyethyl(trimethyl)azanium;hydroxide | Bursine | KIZQNNOULOCVDM-UHFFFAOYSA-M | N,N

Especificações e pureza

44 wt. % in H2O

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

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

Nomes e identificadores

Pubchem Sid

508813976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813976

Sorrisos canónicos

C[N+](C)(C)CCO.[OH-]

IUPAC Name

2-hydroxyethyl(trimethyl)azanium;hydroxide

InChIKey

KIZQNNOULOCVDM-UHFFFAOYSA-M

INCHI

1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1

SMILES isoméricas

C[N+](C)(C)CCO.[OH-]

WGK Alemanha

3

CAS alternativo

62-49-7

Peso molecular

121.18

Reaxy-Rn

3912966

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912966&ln=

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: Cholines
• Alternative Parents: Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Organic hydroxide - Organic oxide - Amine - Organopnictogen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• 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

• Solubilidade: Solubility in water: Completely miscible; Insoluble in Benzene,Toluene
• Sensibilidade: Light Sensitive,Air Sensitive,Heat Sensitive
• Índice de refração: 1.427
• Peso molecular: 121.180 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 121.11 Da
• Monoisotopic Mass: 121.11 Da
• Topological Polar Surface Area: 21.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• 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