Identifikatoren & physikalische Daten
| CAS No. | 6940-59-6 |
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| Summenformel | C8H14BrNO |
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| Durchschnittliche Molmasse | 220,11 g/mol |
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| Monoisotopische Masse | 219,02588 g/mol |
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| SMILES | C=CCNC(=O)C(Br)C(C)C |
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| InChIKey | WCNCYFCHRAPWKD-UHFFFAOYSA-N |
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| PubChem CID | 246725 |
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| EC No. | 654-560-1 |
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| DTXSID | DTXSID601266938 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 29,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 145 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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