Identifikatoren & physikalische Daten
| CAS No. | 524-36-7 |
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| Summenformel | C8H14Cl2N2O2 |
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| Durchschnittliche Molmasse | 241,11 g/mol |
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| Monoisotopische Masse | 240,04323305 g/mol |
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| SMILES | Cc1ncc(CO)c(CN)c1O.Cl.Cl |
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| InChIKey | HNWCOANXZNKMLR-UHFFFAOYSA-N |
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| PubChem CID | 10664 |
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| ChEMBL | CHEMBL2361504 |
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| ChEBI | CHEBI:131532 |
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| EC No. | 208-357-6 |
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| DTXSID | DTXSID6045088 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 79,4 |
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| H-Brücken-Donoren | 5 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 143 |
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| Stoffklassen | Biological Agents -> Vitamins and Derivatives |
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| Dampfdruck | 0.00000144 [mmHg] |
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| Physical Description | Solid[Merck Index] White to off-white solid[Acros Organics MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | Causes convulsions in oral and subcutaneous lethal-dose studies of mice and rats[RTECS] An irritant[Acros Organics MSDS] See Pyridoxine hydrochloride. |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
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