HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11480902Erstellt: 27. Oktober 2026
1-(3-Cyanophenyl)piperazine
3-PIPERAZIN-1-YLBENZONITRILE · 3-(1-Piperazinyl)benzonitrile · Benzonitrile, 3-(1-piperazinyl)- · 1-(3-Cyanophenyl)piperazine ,97% · Benzonitrile, 3-(1-piperazinyl)- (9CI)
https://huagongshe.com/de/chemical/11480902
Identifikatoren & physikalische Daten
| CAS No. | 178928-58-0 |
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| Summenformel | C11H13N3 |
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| Durchschnittliche Molmasse | 187,24 g/mol |
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| Monoisotopische Masse | 187,11094742 g/mol |
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| SMILES | N#Cc1cccc(N2CCNCC2)c1 |
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| InChIKey | LJUHEEFEADORHV-UHFFFAOYSA-N |
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| PubChem CID | 11480902 |
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| ChEMBL | CHEMBL4099491 |
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| EC No. | 674-701-0 |
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| DTXSID | DTXSID80467213 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 39,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 224 |
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| Siedepunkt | 364.7±27.0 °C(Predicted) |
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| Dichte | 1.16±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C, protect from light |
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| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
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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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| UN-Transportnummer | UN2735 |
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| Zollcode | 2933599590 |
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| Gefahrenklasse | 8 |
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