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

CAS: 67-48-1 Cat. No.: C755647 분자식: C₅H₁₄ClNO 분자량: 139.62 Beilstein Registry Number: 3563126 EC 번호: 200-655-4

등급 & 순도 UltraBio™, ≥99%(AT)

Synonyms

Lipotril | Paresan | Hepacholine

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

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

사양

동의어

Lipotril | Paresan | Hepacholine

사양 및 순도

UltraBio™, ≥99%(AT)

생화학 및 생리적 메커니즘

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

보관 조건

Room temperature,Argon charged

배송

Normal

등급

UltraBio™

순수함

≥99%(AT)

이름과 식별자

Pubchem Sid

528772640

PH

5.0-7.5 (25 °C, 1 M in H 2 O)

정식 스마일

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

이성체 SMILES

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

WGK 독일

1

RTECS

KH2975000

분자량

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
    • 분류 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: H 2 O: 1 M, clear, colorless
• 감도: Hygroscopic
• 녹는점(°C): 302-305°C
• 분자량: 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