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(2-Acetoxyethyl)trimethylammoniumiodid
ACH · CEK2 · JTK4 · CD333 · HSFGFR3EX · acetylcolina · CD333 antigen · acetyl-choliniodide
Identifikatoren & physikalische Daten
| CAS No. | 2260-50-6 |
|---|---|
| Summenformel | C7H16INO2 |
| Durchschnittliche Molmasse | 273,11 g/mol |
| Monoisotopische Masse | 273,02257675 g/mol |
| SMILES | CC(=O)OCC[N+](C)(C)C.[I-] |
| InChIKey | SMBBQHHYSLHDHF-UHFFFAOYSA-M |
| PubChem CID | 75271 |
| ChEMBL | CHEMBL60457 |
| EC No. | 218-862-3 |
| DTXSID | DTXSID10883821 |
| Lokaler Name | (2-Acetoxyethyl)trimethylammoniumiodid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 26,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 115 |
| Schmelzpunkt | 161-164 °C |
| Dichte | 1.4816 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Soluble in DMSOalmost transparency |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Biologische Quelle | rabbit |
| BRN | 3571339 |
| Specific Activity | 95-129nmol/min·mg |
| InChI | 1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H31H/q+1/p-1 |
| InChIKey | SMBBQHHYSLHDHF-UHFFFAOYSA-M |
| SMILES | [I-].CC(=O)OCC[N+](C)(C)C |
| CAS Datenbank | 2260-50-6(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide (2260-50-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (81.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, iodide: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (81.6%) |
| F | 8-9 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29239000 |
| RTECS-Nr. | KH3300000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Acetylcholine is an endogenous neurotransmitter at cholinergic synapses that amplifies action potential of the sarcolemma thereby inducing muscle contractions. Acetylcholine iodide is used as an acetylcholine receptor agonist to identify, characterize and differentiate among types of cholinergic receptors. Acetylcholine iodide is used as a substrate to identify and characterize natural and mutated acetylcholinesterase(s).