HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
10-Methoxy-5H-dibenz[b,f]azepin
10-METHOXY IMINOSTILBENE · 10-Methoxy-5H-dibenzo[b,f]azepine · MethoxyIminostilbene · 10-METHOXY-5H-DIBENZ[B,F]AZEPINE · 0/7/98 · 10-Methoxyiminostilb · 10-Methoxyiminostibene · 10-Methyl iMinostilbene
![Molekülstruktur von 10-Methoxy-5H-dibenz[b,f]azepin](/img/chemical/78424.png)
Identifikatoren & physikalische Daten
| CAS No. | 4698-11-7 |
|---|---|
| Summenformel | C15H13NO |
| Durchschnittliche Molmasse | 223,27 g/mol |
| Monoisotopische Masse | 223,09971404 g/mol |
| SMILES | COC1=Cc2ccccc2Nc2ccccc21 |
| InChIKey | ZKHZWXLOSIGIGZ-UHFFFAOYSA-N |
| PubChem CID | 78424 |
| ChEMBL | CHEMBL3580711 |
| EC No. | 225-172-6 |
| DTXSID | DTXSID20196999 |
| Lokaler Name | 10-Methoxy-5H-dibenz[b,f]azepin |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 299 |
| Schmelzpunkt | 122-128°C |
| Siedepunkt | 410.8±34.0 °C(Predicted) |
| Dichte | 1.19 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.88±0.40(Predicted) |
| Farbe | Yellow |
| Hauptanwendungen | pharmaceutical small molecule |
| InChI | InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3 |
| InChIKey | ZKHZWXLOSIGIGZ-UHFFFAOYSA-N |
| SMILES | N1C2=CC=CC=C2C(OC)=CC2=CC=CC=C12 |
| CAS Datenbank | 4698-11-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.WarningH317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13198 |
| Hazard Classes and Categories | Skin Sens. 1 (93.3%) |
| Zollcode | 2933.99.8290 |
Anwendungen & Verwendung
Verwenden
10-Methoxy Iminostilbene exhibits antioxidant activity in vitro