Identifikatoren & physikalische Daten
| CAS No. | 52791-50-1 |
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| Summenformel | C28H30Cl2N6 |
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| Durchschnittliche Molmasse | 521,5 g/mol |
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| Monoisotopische Masse | 520,1909004 g/mol |
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| SMILES | Clc1ccc2c(N3CCC(CCC4CCN(c5ncnc6cc(Cl)ccc56)CC4)CC3)ncnc2c1 |
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| InChIKey | CTANXOBLOROWLB-UHFFFAOYSA-N |
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| PubChem CID | 335083 |
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| ChEMBL | CHEMBL1329326 |
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| EC No. | 665-404-7 |
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| DTXSID | DTXSID90319274 |
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Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
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| Polarare Oberfläche (TPSA) | 58 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 36 |
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| Formalladung | 0 |
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| Komplexität | 640 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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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