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HCID 34767Erstellt: 26. Oktober 2026
Ethyl-4-oxopiperidin-1-carboxylat
ETHYL 4-OXOPIPERIDINE-1-CARBOXYLATE · 1-ETHOXYCARBONYL-4-PIPERIDONE · Loratadine EP IMpurity H · N-CARBOETHOXY-4-PIPERIDONE · N-ETHOXYCARBONYL-4-PIPERIDONE · LUBE-007 · NSC 139022 · AURORA KA-3057
https://huagongshe.com/de/chemical/34767
Identifikatoren & physikalische Daten
| CAS No. | 29976-53-2 |
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| Summenformel | C8H13NO3 |
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| Durchschnittliche Molmasse | 171,19 g/mol |
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| Monoisotopische Masse | 171,08954328 g/mol |
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| SMILES | CCOC(=O)N1CCC(=O)CC1 |
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| InChIKey | LUBGFMZTGFXIIN-UHFFFAOYSA-N |
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| PubChem CID | 34767 |
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| EC No. | 249-984-5 |
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| DTXSID | DTXSID0057704 |
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| Lokaler Name | Ethyl-4-oxopiperidin-1-carboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 46,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| SpringerMaterials Properties | Chemical shift |
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| Siedepunkt | 95-98 °C (1 mmHg) |
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| Dichte | 1.135 g/mL at 25 °C (lit.) |
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| Dampfdruck | 0.2-0.37Pa at 20-25℃ |
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| Brechungsindex | n20/D 1.475(lit.) |
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| Flammpunkt | 190 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)slightly soluble |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | -1.59±0.20(Predicted) |
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| Farbe | Clear colorless to pale yellow |
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| pH | 4.6 (H2O, 20℃)(saturated solution) |
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| BRN | 640967 |
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| InChI | 1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3 |
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| InChIKey | LUBGFMZTGFXIIN-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)N1CCC(=O)CC1 |
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| LogP (Verteilungskoeffizient) | 0 at 20℃ and pH6.5-6.7 |
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| CAS Datenbank | 29976-53-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 30.8% (4 of 13) of reports.DangerH302 (46.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 13 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 27-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21330Ethyl 4-oxopiperidine-1-carboxylate: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (46.2%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333999 |
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| R-Sätze (R) | 36/38-22-36/37/38-20/21/22 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 23-24/25-37/39-26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2 |
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| Lagerklasse | 10 - Combustible liquids |
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