HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3695589Erstellt: 2. November 2026
2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
https://huagongshe.com/de/chemical/3695589
Identifikatoren & physikalische Daten
| CAS No. | 514840-19-8 |
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| Summenformel | C25H24BrN3O2 |
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| Durchschnittliche Molmasse | 478,4 g/mol |
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| Monoisotopische Masse | 477,10519 g/mol |
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| SMILES | COc1cccc(C2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c1 |
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| InChIKey | LLWWXSNFDMRUMZ-UHFFFAOYSA-N |
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| PubChem CID | 3695589 |
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| EC No. | 133-283-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
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| Polarare Oberfläche (TPSA) | 79,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 31 |
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| Formalladung | 0 |
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| Komplexität | 852 |
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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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