Identifikatoren & physikalische Daten
| CAS No. | 1201-56-5 |
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| Summenformel | C11H17NO |
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| Durchschnittliche Molmasse | 179,26 g/mol |
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| Monoisotopische Masse | 179,13101416 g/mol |
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| SMILES | C[C@@H]([C@H](O)c1ccccc1)N(C)C |
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| InChIKey | FMCGSUUBYTWNDP-ONGXEEELSA-N |
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| PubChem CID | 64782 |
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| ChEMBL | CHEMBL1589978 |
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| ChEBI | CHEBI:113556 |
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| EC No. | 209-022-7 |
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| DTXSID | DTXSID7045992 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 23,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 141 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| LogP (Verteilungskoeffizient) | 1.7 |
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| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 38 reports by companies from 1 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 (100%) |
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