HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-(benzyloxy)-1H-indole
6-(Benzyloxy)-1H-indole · NSC 92538 · 6-BENZYLOXYINDOLE · 6-Benzloxy-indole · NH6-Benzyloxyindole · 6-BENZYLOXYINDOLE 97% · 6-phenylMethoxyindole · 6-Benzyloxyindole >6-Benzyloxyindole ,98%
Identifikatoren & physikalische Daten
| CAS No. | 15903-94-3 |
|---|---|
| Summenformel | C15H13NO |
| Durchschnittliche Molmasse | 223,27 g/mol |
| Monoisotopische Masse | 223,09971404 g/mol |
| SMILES | c1ccc(COc2ccc3cc[nH]c3c2)cc1 |
| InChIKey | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
| PubChem CID | 260804 |
| ChEMBL | CHEMBL6145611 |
| EC No. | 810-565-2 |
| DTXSID | DTXSID00293834 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 237 |
| Schmelzpunkt | 116-119°C |
| Siedepunkt | 411.6±20.0 °C(Predicted) |
| Dichte | 1.196±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Diethyl Ether (Slightly), Ethanol (Slightly), Ethyl Aceta |
| pKa (Säurekonstante) | 17.17±0.30(Predicted) |
| Aggregatzustand | crystalline |
| Farbe | yellow to brown |
| BRN | 173319 |
| InChI | InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-10,16H,11H2 |
| InChIKey | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(OCC3=CC=CC=C3)=C2)C=C1 |
| CAS Datenbank | 15903-94-3(CAS DataBase Reference) |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Indole derivative, as antiviral and antitumor agent