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HCID 2737021Erstellt: 23. Oktober 2026
6-Morpholinonicotinonitrile
6-Morpholinonicotinonitrile · 6-Morpholinopyridine-3-carbonitrile · 6-(Morpholin-4-yl)nicotinonitrile 97% · 6-(4-morpholinyl)-3-pyridinecarbonitrile · 3-Pyridinecarbonitrile, 6-(4-morpholinyl)-
https://huagongshe.com/de/chemical/2737021
Identifikatoren & physikalische Daten
| CAS No. | 259683-28-8 |
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| Summenformel | C10H11N3O |
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| Durchschnittliche Molmasse | 189,21 g/mol |
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| Monoisotopische Masse | 189,09021197 g/mol |
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| SMILES | N#Cc1ccc(N2CCOCC2)nc1 |
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| InChIKey | MWMUIALBOFAVDT-UHFFFAOYSA-N |
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| PubChem CID | 2737021 |
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| ChEMBL | CHEMBL1869148 |
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| EC No. | 129-811-9 |
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| DTXSID | DTXSID50371777 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 49,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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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 | 229 |
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| Löslichkeit | >28.4 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 391.3±42.0 °C(Predicted) |
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| Dichte | 1.23 |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 2.38±0.10(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Light brown |
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| InChI | InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2 |
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| InChIKey | MWMUIALBOFAVDT-UHFFFAOYSA-N |
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| SMILES | C1=NC(N2CCOCC2)=CC=C1C#N |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 | Acute Tox. 4 (100%) |
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| Zollcode | 2933399990 |
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