(2-hydroxyethyl)trimethylazanium chloride

• ChemBase ID: 102374
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: [Cl-].C[N+](C)(C)CCO
• Canonical SMILES: OCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
• InChIKey: SGMZJAMFUVOLNK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxyethyl)trimethylazanium chloride
• IUPAC Traditional name: choline chloride
• Synonyms: (2-Hydroxyethyl)trimethylammonium chloride; CHOLINE CHLORIDE; 2-hydroxy-N,N,N-trimethylethanaminium chloride; (2-hydroxyethyl)trimethylazanium chloride; Trimethyl(2-hydroxyethyl)ammonium Chloride; Actiron CC 6; Bilineurin Chloride; Biocolina; Hepacholine; Lipotril; Neocolina; Paresan; 2-Hydroxy-N,N,N-trimethylethanaminium Chloride; Choline chloride; (2-羟乙基)三甲基氯化铵; 氯化胆碱

Database IDs

• CAS Number: 67-48-1
• EC Number: 200-655-4
• MDL Number: MFCD00011721
• Beilstein Number: 3563126
• Merck Index: 142206
• PubChem SID: 24892968; 162088424; 24892920; 24856348; 24892445
• PubChem CID: 522265; 6209
• CHEBI ID: 133341
• CHEMBL: 282468
• Chemspider ID: 5974
• Unique Ingredient Identifier: 45I14D8O27
• Wikipedia Title: Choline_chloride

CALCULATED PROPERTIES

• Acid pKa: 13.968714
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -4.662269
• LogD (pH = 7.4): -4.6622667
• Log P: -4.662269
• Molar Refractivity: 42.194 cm^3
• Polarizability: 12.021414 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; H2O: soluble1 M, clear, colorless; H2O: soluble50 mg/mL; Methanol; very soluble (>650 g/l) in water; Water
• Apperance: powder; White Solid; White or deliquescent crystals
• Melting Point: >300°C (dec.); 302 °C (decomposes); 302-305 °C (dec.)(lit.); ca 305°C dec.
• Density: 1.1 g/cm^3 at 20 °C
• Vapor Pressure: 10 hPa at 20 °C
• Absorption Wavelength: λ: 260 nm Amax: 0.015; λ: 280 nm Amax: 0.010
• Hydrophobicity(logP): 0.0
• pH: 5.0-7.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere; Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: KH2975000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H303
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥97.0% (AT); ≥98%; ≥99%; ≥99.0% (AT); 95%; 98+%; 99%
• Grade: ReagentPlus®
• Salt Data: Chloride; Cl-
• Suitability: suitable for cell culture; suitable for insect cell culture
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: (CH3)3N(Cl)CH2CH2OH

DETAILS

MP Biomedicals - 05207255

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101386

Purity: 99%
Suitable for use as a substrate for choline acetyl transferase.

Sigma Aldrich - C7017

包装
10 mg in autosmp vl
5, 25, 100 g in glass bottle
Substrates
胆碱乙酰基转移酶底物
Biochem/physiol Actions
Choline is an essential nutrient, commonly grouped with the B complex vitamins, that plays key roles in many biological processes.
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes .

Sigma Aldrich - C1879

包装
1, 5 kg in poly drum
500 g in poly bottle
Substrates
胆碱乙酰基转移酶底物
Biochem/physiol Actions
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes 1.

Sigma Aldrich - C7527

Application
A source of methyl groups for methyl-transfer reactions.
Substrates
胆碱乙酰基转移酶底物
Biochem/physiol Actions
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes 1.

Sigma Aldrich - 26978

Biochem/physiol Actions
Choline is an essential nutrient, commonly grouped with the B complex vitamins, that plays key roles in many biological processes.
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes 1.
Other Notes
Restores cholinergic, biochemical and pharmacological activities in striata of decorticated rats2
Sales restrictions may apply
Substrates
Choline acetyltransferase substrate

Sigma Aldrich - 239941

Packaging
50 g in glass bottle
Substrates
Choline acetyltransferase substrate
Biochem/physiol Actions
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes 1.
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 26980

Substrates
Choline acetyltransferase substrate
Biochem/physiol Actions
The enzymatic activities of butyrylcholinesterase (BChE) and paraoxonase 1 (PON1), two serum enzymes synthesized by the liver and related with inflammation, were decreased in a sepsis animal model injected with LPS. Choline chloride administered intravenously at 20 mg/kg body weight prevents the LPS-mediated decreases in the activities of these two enzymes 1.

Toronto Research Chemicals - C432650

Lipotropic.

REFERENCES

• Hartung, C., et al.: Toxicol. Appl. Pharmacol., 12, 486 (1968)
• Sitaram, N., et al.: Life Sci., et al.: 22, 1555 (1968)