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2-Acetylthioethyltrimethylammoniumchlorid
Acetylthiocholine chloride · THIOCHOLINE CHLORIDE ACETATE · S-ACETYLTHIOCHOLINE CHLORIDE · ACETYLTHIOCHOLINE CHLORIDE,99% · -N,N,N-trimethylethanaminium chloride · [2-(ACETYLTHIO)ETHYL]TRIMETHYLAMMONIUM CHLORIDE · 2-acetylsulfanylethyl(trimethyl)azanium chloride · N-[2-(Acetylthio)ethyl]trimethylaminium·chloride
Identifikatoren & physikalische Daten
| CAS No. | 6050-81-3 |
|---|---|
| Summenformel | C7H16ClNOS |
| Durchschnittliche Molmasse | 197,73 g/mol |
| Monoisotopische Masse | 197,06411281 g/mol |
| SMILES | CC(=O)SCC[N+](C)(C)C.[Cl-] |
| InChIKey | GZYVLKKMMDFCKR-UHFFFAOYSA-M |
| PubChem CID | 22411 |
| ChEMBL | CHEMBL1256181 |
| EC No. | 227-953-7 |
| DTXSID | DTXSID90975910 |
| Lokaler Name | 2-Acetylthioethyltrimethylammoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 42,4 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 117 |
| Löslichkeit | 29.4 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Water (Slightly, Heated, Sonicated)water: 100mg/mL, clear to slightly hazy, colorless |
| Schmelzpunkt | 199-201°C |
| Lagerbedingungen | -20°C |
| Aggregatzustand | powder |
| Farbe | White to Off-White |
| InChI | 1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H31H/q+1/p-1 |
| InChIKey | GZYVLKKMMDFCKR-UHFFFAOYSA-M |
| SMILES | [Cl-].CC(=O)SCC[N+](C)(C)C |
| CAS Datenbank | 6050-81-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Dam. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29309070 |
| RTECS-Nr. | BR6954000 |
| R-Sätze (R) | 36/37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
Acetylthiocholine chloride has been used to determine the acetylcholine esterase activity of semen exosomes (SE). It has also been used as a substrate for acetylcholine esterase in microcalorimetric study of its kinetic parameters.