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

CAS: 123-41-1 Cat. No.: C166651 分子式: C₅H₁₅NO₂ 分子量: 121.18 EC番号: 204-625-1

グレード＆純度 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

概要

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.

仕様

同義語

(.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

仕様と純度

44 wt. % in H2O

保管条件

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

入荷

Wet ice

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。

名前と識別子

パブケム・シド

508813976

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

代替CAS番号

62-49-7

分子量

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
    • 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: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility in water: Completely miscible; Insoluble in Benzene,Toluene
• 感度: Light Sensitive,Air Sensitive,Heat Sensitive
• 屈折率: 1.427
• 分子量: 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