Identifikatoren & physikalische Daten
| CAS No. | 304883-10-1 |
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| Summenformel | C20H17N3O |
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| Durchschnittliche Molmasse | 315,4 g/mol |
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| Monoisotopische Masse | 315,13716217 g/mol |
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| SMILES | Cc1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 |
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| InChIKey | ZGYWSPUCDJERHP-UHFFFAOYSA-N |
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| PubChem CID | 577283 |
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| EC No. | 150-490-6 |
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| DTXSID | DTXSID601041269 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
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| Polarare Oberfläche (TPSA) | 53,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 415 |
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Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
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