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Dibenzyl(2-chlorethyl)ammoniumchlorid
DIBENAMINE HYDROCHLORIDE · Sympatholytin hydrochloride · N-(2-CHLOROETHYL)DIBENZYLAMINE HCL · n,n-dibenzyl-2-chloroethylamineHCl · dibenzylchlorethylaminehydrochloride · Dibenamine hydrochloride, 10 mM in DMSO · dibenzyl(2-chloroethyl)ammonium chloride · n-(2-chloroethyl)-dibenzylaminhydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 55-43-6 |
|---|---|
| Summenformel | C16H19Cl2N |
| Durchschnittliche Molmasse | 296,2 g/mol |
| Monoisotopische Masse | 295,089455 g/mol |
| SMILES | Cl.ClCCN(Cc1ccccc1)Cc1ccccc1 |
| InChIKey | LZXCEBPGNFLHEQ-UHFFFAOYSA-N |
| PubChem CID | 5925 |
| ChEMBL | CHEMBL3272451 |
| EC No. | 200-234-5 |
| DTXSID | DTXSID3075337 |
| Lokaler Name | Dibenzyl(2-chlorethyl)ammoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 3,2 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 187 |
| Schmelzpunkt | 190-193 °C(lit.) |
| Siedepunkt | 449.72°C (rough estimate) |
| Dichte | 1.1507 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| Merck | 14,2138 |
| InChI | 1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H21H |
| InChIKey | LZXCEBPGNFLHEQ-UHFFFAOYSA-N |
| SMILES | Cl.ClCCN(Cc1ccccc1)Cc2ccccc2 |
| CAS Datenbank | 55-43-6(CAS DataBase Reference) |
| EPA chemische Informationen | N-(2-Chloroethyl)dibenzylamine hydrochloride (55-43-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214900 |
| RTECS-Nr. | HQ6825000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi) |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Sympatholytin was used as 5-Hydroxytryptamine antagonists in this study.Sympatholytin preferentially blocked postsynaptic alpha receptors.