Identifikatoren & physikalische Daten
| CAS No. | 100615-32-5 |
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| Summenformel | C13H16N2O |
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| Durchschnittliche Molmasse | 216,28 g/mol |
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| Monoisotopische Masse | 216,12626314 g/mol |
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| SMILES | C=CCN(CC=C)C(=O)Nc1ccccc1 |
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| InChIKey | WTNHSTMLXCXNDF-UHFFFAOYSA-N |
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| PubChem CID | 765482 |
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| EC No. | 653-436-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 32,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 234 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Sens. 1 (100%) |
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