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

CAS: 67-48-1 Cat. No.: C755647 Formule: C₅H₁₄ClNO Poids moléculaire: 139.62 Beilstein Registry Number: 3563126 Numéro CE: 200-655-4

QUALITÉ & PURETÉ UltraBio™, ≥99%(AT)

Synonyms

Lipotril | Paresan | Hepacholine

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Spécifications

Synonymes

Lipotril | Paresan | Hepacholine

Spécifications et pureté

UltraBio™, ≥99%(AT)

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Grade

UltraBio™

Pureté

≥99%(AT)

Noms et identifiants

Pubchem Sid

528772640

PH

5.0-7.5 (25 °C, 1 M in H 2 O)

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

RTECS

KH2975000

Poids moléculaire

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
    • 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 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: H 2 O: 1 M, clear, colorless
• Sensibilité: Hygroscopic
• Point de fusion (°C): 302-305°C
• Poids moléculaire: 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