HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13360950Erstellt: 4. November 2026
(3E)-3-[(dimethylamino)methylidene]oxan-4-one
3-Dimethylaminomethylene-tetrahydro-pyran-4-one · (E)-3-((Dimethylamino)methylene)tetrahydro-4h-pyran-4-one · 3-Dimethylaminomethylene-2,3,5,6-tetrahydro-4H-pyran-4-one · (E)-3-((Dimethylamino)methylene)dihydro-2H-pyran-4(3H)-one · 4H-Pyran-4-one, 3-[(dimethylamino)methylene]tetrahydro-, (E)- · 4H-Pyran-4-one, 3-[(dimethylamino)methylene]tetrahydro-, (E)- (9CI)
https://huagongshe.com/de/chemical/13360950
Identifikatoren & physikalische Daten
| CAS No. | 95502-31-1 |
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| Summenformel | C8H13NO2 |
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| Durchschnittliche Molmasse | 155,19 g/mol |
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| Monoisotopische Masse | 155,09462866 g/mol |
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| SMILES | CN(C)/C=C1\COCCC1=O |
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| InChIKey | UVSOQLUKPLSKOC-FNORWQNLSA-N |
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| PubChem CID | 13360950 |
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| EC No. | 987-670-6 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
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| Polarare Oberfläche (TPSA) | 29,5 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 185 |
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| Schmelzpunkt | 82 °C(Solv: ethyl ether (60-29-7)) |
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| Siedepunkt | 256.3±40.0 °C(Predicted) |
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| Dichte | 1.149±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.81±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 | Skin Irrit. 2 (100%) |
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![Molekülstruktur von (3E)-3-[(dimethylamino)methylidene]oxan-4-one](/img/chemical/13360950.png)