Identifikatoren & physikalische Daten
| CAS No. | 604-45-5 |
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| Summenformel | C39H30N6 |
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| Durchschnittliche Molmasse | 582,7 g/mol |
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| Monoisotopische Masse | 582,25319498 g/mol |
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| SMILES | c1ccc(N=c2n(-c3ccccc3)c(=Nc3ccccc3)n(-c3ccccc3)c(=Nc3ccccc3)n2-c2ccccc2)cc1 |
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| InChIKey | MBZKVOZDQXHTIK-UHFFFAOYSA-N |
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| PubChem CID | 136402 |
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| ChEMBL | CHEMBL602171 |
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| EC No. | 105-229-0 |
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| DTXSID | DTXSID10862277 |
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Chemische & physikalische Eigenschaften
| XLogP | 9,6 |
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| Polarare Oberfläche (TPSA) | 46,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 45 |
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| Formalladung | 0 |
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| Komplexität | 846 |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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