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N-(3-Chlorpropyl)-3,4-dimethoxy-N-methylphenethylamin
SR-45813 · Verapamil Impurity D · Verapamil EP Impurity · Verapamil EP Impurity D · verapamil impurities877 · Verapamil EP Impurity D HCl · 3-Chloro-N-[2-(3,4-dimethoxyphenyl) · Verapamil Hydrochloride EP Impurity D
Identifikatoren & physikalische Daten
| CAS No. | 36770-74-8 |
|---|---|
| Summenformel | C14H22ClNO2 |
| Durchschnittliche Molmasse | 271,78 g/mol |
| Monoisotopische Masse | 271,13390662 g/mol |
| SMILES | COc1ccc(CCN(C)CCCCl)cc1OC |
| InChIKey | HJBBKVHYQQUPQW-UHFFFAOYSA-N |
| PubChem CID | 577693 |
| EC No. | 253-198-8 |
| DTXSID | DTXSID001192363 |
| Lokaler Name | N-(3-Chlorpropyl)-3,4-dimethoxy-N-methylphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 216 |
| Siedepunkt | 69-70 °C(Press: 0.005 Torr) |
| Dichte | 1.066±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 8.80±0.50(Predicted) |
| Aggregatzustand | White to Off-White Semi-Solid |
| Hauptanwendungen | pharmaceutical |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
N-(3-Chloropropyl)-3,4-dimethoxy-N-methylbenzeneethanamine (Verapamil EP Impurity D) is a reagent in the synthesis of Zatebradine, an anti-anginal agent.