HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
rac Atomoxetine · Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine · N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine · N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine · Benzenepropanamine, N-methyl-γ-(2-methylphenoxy)- · N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Identifikatoren & physikalische Daten
| CAS No. | 63940-51-2 |
|---|---|
| Summenformel | C17H21NO |
| Durchschnittliche Molmasse | 255,35 g/mol |
| Monoisotopische Masse | 255,16231429 g/mol |
| SMILES | CNCCC(Oc1ccccc1C)c1ccccc1 |
| InChIKey | VHGCDTVCOLNTBX-UHFFFAOYSA-N |
| PubChem CID | 6850813 |
| ChEMBL | CHEMBL299052 |
| EC No. | 691-644-7 |
| DTXSID | DTXSID10861048 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 237 |
| Kovats Retention Index | 1976.9 |
| Schmelzpunkt | 174 °C |
| Siedepunkt | 389.0±37.0 °C(Predicted) |
| Dichte | 1.023±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 10.15±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26066 |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Eye Dam. 1 (100%)Acute Tox. 2 (100%)Repr. 2 (100%)Aquatic Chronic 2 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
Anwendungen & Verwendung
Verwenden
rac Atomoxetine is a compound active at novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases.