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

CAS: 123-41-1 Cat. No.: C166651 Formula: C₅H₁₅NO₂ Molecular Weight: 121.18 EC Number: 204-625-1

GRADE & PURITY 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

Overview

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.

Specifications

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

Specifications & Purity

44 wt. % in H2O

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

508813976

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

Alternate CAS

62-49-7

Molecular Weight

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
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Insoluble in Benzene,Toluene
• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Refractive Index: 1.427
• Molecular Weight: 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

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