Identifikatoren & physikalische Daten
| CAS No. | 1187368-46-2 |
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| Summenformel | C13H18N2O4 |
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| Durchschnittliche Molmasse | 266,29 g/mol |
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| Monoisotopische Masse | 266,12665706 g/mol |
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| SMILES | CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1 |
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| InChIKey | PJZIGPNYGIGSRC-UHFFFAOYSA-N |
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| PubChem CID | 66769552 |
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| EC No. | 858-579-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 79,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 338 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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