Grundinformationen
- Standard-SMILES
C[N+](C)(C)CCO.[OH-]- InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M- Summenformel
- C5H15NO2
- Durchschnittliche Molmasse
- 121,18 g/mol
- Monoisotopische Masse
- 121,11027872
Namen und Bezeichner
- Bevorzugter Name
- Choline, hydroxide
- IUPAC
- 2-hydroxyethyl(trimethyl)azanium hydroxide
- Lokaler Name
- Cholinhydroxid
- Englischer Name
- Choline hydroxide
- Summenformel
- C5H15NO2
- Molmasse
- 121.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
123-41-1- PubChem CID
- 31255
- DTXSID
DTXSID9047467- ChEMBL
CHEMBL3187547- UNII
- 7THJ3EG9SY
- EC Number
- 204-625-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 21,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 46
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
45% aqueous solution: Brown viscous liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 236 · 236~239℃
- Dichte
- 1.09 g/mL · 1.09 g/mL at 20 °C
- Dampfdruck
- 28.284 hPa · 28.284hPa at 25℃
- Brechungsindex
- 20 · n20/D 1.4304
- Flammpunkt
- 92 °F · 92 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Water (easy), ethanol (difficult to dissolve (1-pentanol)), ether (insoluble)
- Aggregatzustand
- Granular Powder
- pka
- 13.9 · 13.9(at 25℃)
- Farbe
- White
- Wasserlöslichkeit
- miscible
- Merck
- 14 · 14,2204
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
- InChIKey
- KIZQNNOULOCVDM-UHFFFAOYSA-M
- SMILES
- [OH-].C[N+](C)(C)CCO
- LogP
- -2.25 at · -2.25 at 25℃
- CAS Datenbank
- 123 · 123-41-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (123-41-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (69%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (20.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (20.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 352 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: 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.
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: 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.
Sicherheitsdaten
- F
- 8-9-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3286 3/PG 2
- hs_code
- 29231000
- RTECS-Nr.
- GA4025500
- risk_code
- 34-35-43-39/23/24/25-23/24/25-10-R35
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-S45-S36/37/39-S26
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 1
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.
Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
Verwendung und Herstellung
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Computer and Electronic Product Manufacturing;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Other (requires additional information)
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1): ACTIVE
Anwendungen
VerwendenCholine hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionAn amino alcohol,CH2OHCH2N(CH3)3OH. It occurswidely in living organisms as aconstituent of certain types ofphospholipids– the lecithins andsphingomyelins– and in the neurotransmitteracetylcholine. It issometimes classified as a memberof the vitamin B complex.
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