Identifikatoren & physikalische Daten
| CAS No. | 57-29-4 |
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| Summenformel | C19H22ClNO3 |
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| Durchschnittliche Molmasse | 347,8 g/mol |
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| Monoisotopische Masse | 347,1288213 g/mol |
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| SMILES | C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl |
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| InChIKey | NAHATSPWSULUAA-ZQGPYOJVSA-N |
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| PubChem CID | 5484366 |
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| ChEMBL | CHEMBL1908349 |
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| EC No. | 200-321-8 |
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| DTXSID | DTXSID3047847 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 52,9 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 549 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, hydrochloride, (5.alpha.,6.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, hydrochloride, (5.alpha.,6.alpha.)-: Human health tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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