Cholin

L-Choline · bilineurine · (2-hydroxyethyl)trimethylammonium · 2-hydroxy-n,n,n-trimethylethanaminium · 2,4,6-TRIS(4-FLUOROPHENYL)PYRYLIUM TETRAFLUOROBORATE · CHOLINE · Sincalin · cholineion

https://huagongshe.com/de/chemical/305

Identifikatoren & physikalische Daten

CAS No.	139741-81-4
Summenformel	C5H14NO+
Durchschnittliche Molmasse	104,17 g/mol
Monoisotopische Masse	104,10699049 g/mol
SMILES	C[N+](C)(C)CCO
InChIKey	OEYIOHPDSNJKLS-UHFFFAOYSA-N
PubChem CID	305
ChEMBL	CHEMBL920
ChEBI	CHEBI:15354
EC No.	200-535-1
DTXSID	DTXSID8043789
Lokaler Name	Cholin

Chemische & physikalische Eigenschaften

XLogP	-0,4
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	1
Komplexität	46,5
Stoffklassen	Biological Agents -> Vitamins and Derivatives
Arzneimittel	Pharmaceuticals -> BrochodilatorsPharmaceuticals -> Listed in ZINC15
Löslichkeit	SolubleEasily soluble (water), soluble (ethanol), slightly soluble (amyl alcohol), insoluble ((C2H5)2O, CHCl3)
Dietary Ingredients	Choline
Schmelzpunkt	244-247 °C (as chloride salt)302 - 303 °C (chloride salt)232-233 °C (decomp)
Physical Description	50% Aqueous solution: Dark brown cloudy liquid[Sigma-Aldrich MSDS]Solid
Collision Cross Section	117.7 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9047467]117.6 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]117.8 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]119 Å² [M]+ [CCS Type: DTMethod: stepped-field]117 Å² [M]+ [CCS Type: TWMethod: calibrated with polyalanine]117.4 Å² [M+H]+
Siedepunkt	195.35°C (rough estimate)
Dichte	1.09 g/mL at 20 °C
Brechungsindex	n20/D 1.418
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	13.9(at 25℃)
CAS Datenbank	62-49-7(CAS DataBase Reference)
EPA chemische Informationen	Choline (62-49-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 1.3% (2 of 149) of reports.DangerH225 (70.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-Regulation (EC) No 178/2002 (amended)Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25288Ethanaminium, 2-hydroxy-N,N,N-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Weitere Sicherheitsinformationen	IMAP assessments - Ethanaminium, 2-hydroxy-N,N,N-trimethyl-: Environment tier I assessment
Gefahrenübersicht	50% Aqueous solution: Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Flam. Liq. 2 (70.5%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
F	8-9-23
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3286 3/PG 2
R-Sätze (R)	34
Gefahrensymbole	C
Sicherheitshinweise (S)	26-36/37/39-45
Gefahrenklasse	8
Verpackungsgruppe	II

Anwendungen & Verwendung

Verwenden

Choline is a substance grouped as a member of the vitamin b complex, although not a vitamin by definition. it is water soluble and is important in nerve function and fat metabolism. it occurs in egg yolk, beef liver, and grains.