Choline chloride - UltraBio™, ≥99%(AT) , CAS No.67-48-1

CAS: 67-48-1 Cat. No.: C755647 分子式: C₅H₁₄ClNO 分子量: 139.62 Beilstein Registry Number: 3563126 EC番号: 200-655-4

グレード＆純度 UltraBio™, ≥99%(AT)

Synonyms

Lipotril | Paresan | Hepacholine

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Choline acetyltransferase substrate A source of methyl groups for methyl-transfer reactions. Biochem/physiol Actions Acyl group acceptor

仕様

同義語

Lipotril | Paresan | Hepacholine

仕様と純度

UltraBio™, ≥99%(AT)

生化学的・生理学的メカニズム

Choline is an essential nutrient, commonly grouped with the B complex vitamins, that plays key roles in many biological processes.

保管条件

Room temperature,Argon charged

入荷

Normal

等級

UltraBio™

純度

≥99%(AT)

名前と識別子

パブケム・シド

528772640

PH

5.0-7.5 (25 °C, 1 M in H 2 O)

カノニカル・スマイル

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

IUPAC Name

2-hydroxyethyl(trimethyl)azanium;chloride

InChIKey

SGMZJAMFUVOLNK-UHFFFAOYSA-M

INCHI

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

異性体SMILES

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

WGKドイツ

1

RTECS

KH2975000

分子量

139.62

Beilstein

3563126

Reaxy-Rn

3563126

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3563126&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 chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - 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: chloride salt - quaternary ammonium salt

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: H 2 O: 1 M, clear, colorless
• 感度: Hygroscopic
• 融点（°C）: 302-305°C
• 分子量: 139.620 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.076 Da
• Monoisotopic Mass: 139.076 Da
• Topological Polar Surface Area: 20.200 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