HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4100941Erstellt: 5. November 2026
2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
https://huagongshe.com/de/chemical/4100941
Identifikatoren & physikalische Daten
| CAS No. | 156496-75-2 |
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| Summenformel | C24H22ClN3O |
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| Durchschnittliche Molmasse | 403,9 g/mol |
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| Monoisotopische Masse | 403,14514 g/mol |
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| SMILES | CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1ccc(Cl)cc1 |
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| InChIKey | ILGGICXWSVGUIV-UHFFFAOYSA-N |
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| PubChem CID | 4100941 |
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| EC No. | 648-228-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
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| Polarare Oberfläche (TPSA) | 70,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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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 | 788 |
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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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