HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Dimethylamino)-1-phenylpropan-1-ol
USAF EL-80 · Atomoxetine Impurity 20 · 3-(Dimethylamino)-1-phenyl-1-propanol · 1-Phenyl-3-(dimethylamino)-1-propanol · 1-Propanol, 3-dimethylamino-1-phenyl- · α-[2-(Dimethylamino)ethyl]benzenemethanol · N,N-Dimethyl-3-hydroxy-3-phenylpropylamine · 3-Hydroxy-n,n-dimethyl-3-phenyl propylamine
Identifikatoren & physikalische Daten
| CAS No. | 36296-95-4 |
|---|---|
| Summenformel | C11H17NO |
| Durchschnittliche Molmasse | 179,26 g/mol |
| Monoisotopische Masse | 179,13101416 g/mol |
| SMILES | CN(C)CCC(O)c1ccccc1 |
| InChIKey | VELGOYBSKBKQFF-UHFFFAOYSA-N |
| PubChem CID | 110665 |
| ChEMBL | CHEMBL120990 |
| EC No. | 611-283-0 |
| DTXSID | DTXSID30970883 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 130 |
| Löslichkeit | 13.3 [ug/mL] (The mean of the results at pH 7.4) |
| Schmelzpunkt | 47-48℃ |
| Siedepunkt | 128-130℃ (3 Torr) |
| Dichte | 1.011±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 14.21±0.20(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%) |
| Zollcode | 2921490090 |
Anwendungen & Verwendung
Verwenden
3-Dimethylamino-1-phenyl-1-propanol is a useful synthetic intermediate. It can be used to prepare phenoxyphenyl diamine-based histamine H3 antagonists with serotonin reuptake inhibitor activities. It is also used to synthesize indolyl aryl propanamines as dual acting norepinephrine and serotonin reuptake inhibitors.