Identifikatoren & physikalische Daten
| CAS No. | 1188-21-2 |
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| Summenformel | C8H15NO3 |
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| Durchschnittliche Molmasse | 173,21 g/mol |
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| Monoisotopische Masse | 173,10519334 g/mol |
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| SMILES | CC(=O)NC(CC(C)C)C(=O)O |
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| InChIKey | WXNXCEHXYPACJF-UHFFFAOYSA-N |
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| PubChem CID | 1995 |
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| ChEMBL | CHEMBL1875805 |
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| ChEBI | CHEBI:166830 |
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| EC No. | 202-734-9 |
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| DTXSID | DTXSID40859594 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 66,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 177 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.DangerH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (20%) |
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