HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3983293Erstellt: 4. November 2026
2-Amino-4-(1,3-benzodioxol-5-YL)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SALOR-INT L221406-1EA · 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-7,7-DIMETHYL-1-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
https://huagongshe.com/de/chemical/3983293
Identifikatoren & physikalische Daten
| CAS No. | 311315-51-2 |
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| Summenformel | C25H22N4O5 |
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| Durchschnittliche Molmasse | 458,5 g/mol |
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| Monoisotopische Masse | 458,15901982 g/mol |
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| SMILES | CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)C2c1ccc2c(c1)OCO2 |
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| InChIKey | MMTWVNPMLKKPPB-UHFFFAOYSA-N |
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| PubChem CID | 3983293 |
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| EC No. | 648-200-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
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| Polarare Oberfläche (TPSA) | 134 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 34 |
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| Formalladung | 0 |
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| Komplexität | 995 |
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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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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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