HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97773Erstellt: 27. Oktober 2026
Ethyl-2-oxopiperidin-3-carboxylat
ETHYL 2-OXOPIPERIDINE-3-CARBOXYLATE · ETHYL 2-PIPERIDONE-3-CARBOXYLATE · 3-Ethyl-2-piperidinone · 3-CARBETHOXY PIPERIDONE-2 · 2-ketonipecot ethyl ester · 3-Carbethoxy-2-piperidone · 3-ETHOXYCARBONYL-2-PIPERIDONE · 2-oxo-3-piperidinecarboxylate
https://huagongshe.com/de/chemical/97773
Identifikatoren & physikalische Daten
| CAS No. | 3731-16-6 |
|---|
| Summenformel | C8H13NO3 |
|---|
| Durchschnittliche Molmasse | 171,19 g/mol |
|---|
| Monoisotopische Masse | 171,08954328 g/mol |
|---|
| SMILES | CCOC(=O)C1CCCNC1=O |
|---|
| InChIKey | DUMNOWYWTAYLJN-UHFFFAOYSA-N |
|---|
| PubChem CID | 97773 |
|---|
| EC No. | 223-086-3 |
|---|
| DTXSID | DTXSID601312309 |
|---|
| Lokaler Name | Ethyl-2-oxopiperidin-3-carboxylat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|
| Polarare Oberfläche (TPSA) | 55,4 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 191 |
|---|
| Löslichkeit | >25.7 [ug/mL] (The mean of the results at pH 7.4)soluble in Methanol |
|---|
| Schmelzpunkt | 80-82 °C (lit.) |
|---|
| Siedepunkt | 205-215 °C(Press: 12 Torr) |
|---|
| Dichte | 1.118±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 15.42±0.20(Predicted) |
|---|
| Farbe | White to Almost white |
|---|
| BRN | 6212 |
|---|
| InChI | InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10) |
|---|
| InChIKey | DUMNOWYWTAYLJN-UHFFFAOYSA-N |
|---|
| SMILES | N1CCCC(C(OCC)=O)C1=O |
|---|
| CAS Datenbank | 3731-16-6(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29337900 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 22-24/25-36-26 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
| Lagerklasse | 13 - Non Combustible Solids |
|---|
