Identifikatoren & physikalische Daten
| CAS No. | 31386-35-3 |
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| Summenformel | C14H19Cl2NO2 |
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| Durchschnittliche Molmasse | 304,2 g/mol |
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| Monoisotopische Masse | 303,0792842 g/mol |
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| SMILES | CCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1 |
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| InChIKey | XTWPHUBWNUSDMY-UHFFFAOYSA-N |
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| PubChem CID | 97346 |
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| ChEMBL | CHEMBL3247527 |
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| EC No. | 975-679-8 |
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| DTXSID | DTXSID10185312 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 29,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 250 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+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 | Acute Tox. 4 (100%) |
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