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67-48-1 molecular structure
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(2-hydroxyethyl)trimethylazanium chloride

ChemBase ID: 102374
Molecular Formular: C5H14ClNO
Molecular Mass: 139.62376
Monoisotopic Mass: 139.07639175
SMILES and InChIs

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

Cite this record

CBID:102374 http://www.chembase.cn/molecule-102374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.968714  H Acceptors
H Donor LogD (pH = 5.5) -4.662269 
LogD (pH = 7.4) -4.6622667  Log P -4.662269 
Molar Refractivity 42.194 cm3 Polarizability 12.021414 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
H2O: soluble50 mg/mL expand Show data source
Methanol expand Show data source
very soluble (>650 g/l) in water expand Show data source
Water expand Show data source
Apperance
powder expand Show data source
White Solid expand Show data source
White or deliquescent crystals expand Show data source
Melting Point
>300°C (dec.) expand Show data source
302 °C (decomposes) expand Show data source
302-305 °C (dec.)(lit.) expand Show data source
ca 305°C dec. expand Show data source
Density
1.1 g/cm3 at 20 °C expand Show data source
Vapor Pressure
10 hPa at 20 °C expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.015 expand Show data source
λ: 280 nm Amax: 0.010 expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
pH
5.0-7.5 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
KH2975000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
0
2
0
expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H303 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Target
Others expand Show data source
Purity
≥97.0% (AT) expand Show data source
≥98% expand Show data source
≥99% expand Show data source
≥99.0% (AT) expand Show data source
95% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
ReagentPlus® expand Show data source
Salt Data
Chloride expand Show data source
Cl- expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
suitable for insect cell culture expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
sulfate (SO42-): ≤50 mg/kg expand Show data source
λ
1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
(CH3)3N(Cl)CH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05207255 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02101386 external link
Purity: 99%
Suitable for use as a substrate for choline acetyl transferase.
Sigma Aldrich - C7017 external link
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 external link
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 external link
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 external link
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 external link
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 external link
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.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hartung, C., et al.: Toxicol. Appl. Pharmacol., 12, 486 (1968)
  • • Sitaram, N., et al.: Life Sci., et al.: 22, 1555 (1968)
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PATENTS

PATENTS

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INTERNET

INTERNET

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