HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 394808Erstellt: 27. Oktober 2026
4-Morpholinobenzonitrile
Compound Fr12616 · BUTTPARK 92\50-69 · N-(4-oxanyl)-4-oxanamine · 4-MORPHOLINOBENZONITRILE · N-(4-Cyanophenyl)Morpholine · 4-(4-Cyanophenyl)morpholine · 4-(4-cyanobenzene)morpholine · (Morpholin-4-yl)benzonitrile
https://huagongshe.com/de/chemical/394808
Identifikatoren & physikalische Daten
| CAS No. | 10282-31-2 |
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| Summenformel | C11H12N2O |
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| Durchschnittliche Molmasse | 188,23 g/mol |
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| Monoisotopische Masse | 188,094963 g/mol |
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| SMILES | N#Cc1ccc(N2CCOCC2)cc1 |
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| InChIKey | ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
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| PubChem CID | 394808 |
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| ChEMBL | CHEMBL1988902 |
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| ChEBI | CHEBI:194885 |
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| EC No. | 680-190-5 |
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| DTXSID | DTXSID10327876 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 36,3 |
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| H-Brücken-Donoren | 0 |
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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 | 219 |
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| Schmelzpunkt | 85 °C |
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| Siedepunkt | 371.7±37.0 °C(Predicted) |
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| Dichte | 1.17±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 1.69±0.40(Predicted) |
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| Aggregatzustand | Crystalline Solid |
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| Farbe | Off-white to pale brown |
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| Löslichkeit | Soluble in water. |
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| InChI | InChI=1S/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2 |
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| InChIKey | ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC=C(N2CCOCC2)C=C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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. 3 (100%) |
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| UN-Transportnummer | 3439 |
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| Zollcode | 2934999090 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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