HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3690416Erstellt: 3. November 2026
2-Amino-4-(3-bromophenyl)-1-(2-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
https://huagongshe.com/de/chemical/3690416
Identifikatoren & physikalische Daten
| CAS No. | 476483-68-8 |
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| Summenformel | C23H17BrN4O |
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| Durchschnittliche Molmasse | 445,3 g/mol |
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| Monoisotopische Masse | 444,05857 g/mol |
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| SMILES | N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)C1c1cccc(Br)c1 |
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| InChIKey | SZGWWZBREZIIJX-UHFFFAOYSA-N |
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| PubChem CID | 3690416 |
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| EC No. | 647-828-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
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| Polarare Oberfläche (TPSA) | 93,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 29 |
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| Formalladung | 0 |
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| Komplexität | 857 |
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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)Aggregated GHS information provided per 39 reports by companies from 2 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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