Identifikatoren & physikalische Daten
| CAS No. | 12041-95-1 |
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| Summenformel | C17H11N |
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| Durchschnittliche Molmasse | 229,27 g/mol |
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| Monoisotopische Masse | 229,08914936 g/mol |
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| SMILES | c1ccc2nc3ccc4ccccc4c3cc2c1 |
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| InChIKey | JEGZRTMZYUDVBF-UHFFFAOYSA-N |
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| PubChem CID | 9180 |
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| ChEBI | CHEBI:82397 |
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| EC No. | 205-929-7 |
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| DTXSID | DTXSID9075371 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 300 |
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| SpringerMaterials Properties | Angular frequency |
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| LogP (Verteilungskoeffizient) | 4.27 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (92.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Aquatic Acute 1 (92.3%) |
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| Carcinogen Classification | Benz[a]acridineGroup 3: Not classifiable as to its carcinogenicity to humansVolume 32: (1983) Polynuclear Aromatic Compounds, Part 1: Chemical, Environmental and Experimental Data20132011 |
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