Identifikatoren & physikalische Daten
| CAS No. | 4921-92-0 |
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| Summenformel | C14H18N2OS |
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| Durchschnittliche Molmasse | 262,37 g/mol |
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| Monoisotopische Masse | 262,1139842 g/mol |
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| SMILES | O=C(NC(=S)NC1CCCCC1)c1ccccc1 |
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| InChIKey | PSZJBKYIONLMPZ-UHFFFAOYSA-N |
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| PubChem CID | 895546 |
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| ChEMBL | CHEMBL1555726 |
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| EC No. | 812-984-6 |
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| DTXSID | DTXSID70884117 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 73,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 294 |
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| Löslichkeit | 8.5 [ug/mL] (The mean of the results at pH 7.4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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![Molekülstruktur von Benzamide, N-[(cyclohexylamino)thioxomethyl]-](/img/chemical/895546.png)