Identifikatoren & physikalische Daten
| CAS No. | 21917-99-7 |
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| Summenformel | C16H14N2 |
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| Durchschnittliche Molmasse | 234,29 g/mol |
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| Monoisotopische Masse | 234,11569845 g/mol |
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| SMILES | c1ccc(Cc2cc(-c3ccccc3)n[nH]2)cc1 |
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| InChIKey | ZLVBMDHJLBYKFG-UHFFFAOYSA-N |
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| PubChem CID | 283965 |
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| ChEMBL | CHEMBL1974652 |
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| EC No. | 683-494-6 |
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| DTXSID | DTXSID20300852 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 28,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 241 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 | Acute Tox. 4 (100%) |
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