HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Nafoxidine
Nafoxidine · Nafoxidine, 10 mM in DMSO · 1-(2-(4-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)pyrrolidene · 1-[2-[p-(3,4-Dihydro-6-methoxy-2-phenylnaphthalen-1-yl)phenoxy]ethyl]pyrrolidine · 1-[2-[4-(3,4-Dihydro-6-methoxy-2-phenylnaphthalen-1-yl)phenoxy]ethyl]pyrrolidine · 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine · 1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-1-naphthalenyl)phenoxy]ethyl}pyrrolidine · Pyrrolidine, 1-[2-[4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy]ethyl]-
Identifikatoren & physikalische Daten
| CAS No. | 1845-11-0 |
|---|---|
| Summenformel | C29H31NO2 |
| Durchschnittliche Molmasse | 425,6 g/mol |
| Monoisotopische Masse | 425,23547923 g/mol |
| SMILES | COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 |
| InChIKey | JEYWNNAZDLFBFF-UHFFFAOYSA-N |
| PubChem CID | 4416 |
| ChEMBL | CHEMBL28211 |
| ChEBI | CHEBI:34881 |
| EC No. | 694-510-6 |
| DTXSID | DTXSID7022386 |
Chemische & physikalische Eigenschaften
| XLogP | 5,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 611 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 541.28°C (rough estimate) |
| Dichte | 1.0990 (rough estimate) |
| Brechungsindex | 1.6290 (estimate) |
| pKa (Säurekonstante) | 9.63±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, 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. |
|---|---|
| Hazard Classes and Categories | Carc. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H351 |
Anwendungen & Verwendung
Verwenden
Anti-estrogen.