Identifikatoren & physikalische Daten
| CAS No. | 563-83-7 |
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| Summenformel | C4H9NO |
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| Durchschnittliche Molmasse | 87,12 g/mol |
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| Monoisotopische Masse | 87,06841391 g/mol |
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| SMILES | CC(C)C(N)=O |
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| InChIKey | WFKAJVHLWXSISD-UHFFFAOYSA-N |
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| PubChem CID | 68424 |
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| ChEMBL | CHEMBL352219 |
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| ChEBI | CHEBI:193555 |
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| EC No. | 209-265-9 |
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| DTXSID | DTXSID1060340 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 43,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 58,6 |
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| Solvents | Solvents -> Amides (<C10) |
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| SpringerMaterials Properties | Boiling point |
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| Physical Description | Powder[Alfa Aesar MSDS] |
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| Schmelzpunkt | 128 °C |
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| Siedepunkt | 218 °C |
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| Dichte | 0.909±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 16.60±0.50(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.WarningH302 (90.9%): 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See n-Butylamide. |
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| Hazard Classes and Categories | Acute Tox. 4 (90.9%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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