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Ethyl-4-piperidincarboxylat
ETHYL PIPERIDINE-4-CARBOXYLATE · ETHYL ISONIPECOTATE · Ethyl isonipcotinate · 4-Carbethoxypiperidine · 4-piperidinecarboxylate · PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER · H-Nip-OEt · H-DL-Inp-OEt
Identifikatoren & physikalische Daten
| CAS No. | 1126-09-6 |
|---|---|
| Summenformel | C8H15NO2 |
| Durchschnittliche Molmasse | 157,21 g/mol |
| Monoisotopische Masse | 157,11027872 g/mol |
| SMILES | CCOC(=O)C1CCNCC1 |
| InChIKey | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
| PubChem CID | 70770 |
| ChEMBL | CHEMBL2251608 |
| EC No. | 214-416-7 |
| DTXSID | DTXSID90150109 |
| Lokaler Name | Ethyl-4-piperidincarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 130 |
| SpringerMaterials Properties | Dielectric constant |
| Siedepunkt | 204 °C(lit.) |
| Dichte | 1.02 g/mL at 25 °C(lit.) |
| Dampfdruck | 39.4Pa at 25℃ |
| Brechungsindex | n20/D 1.459(lit.) |
| Flammpunkt | 176 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.83±0.10(Predicted) |
| Farbe | Clear colorless to slightly brown |
| Löslichkeit | miscible |
| BRN | 118419 |
| InChI | InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3 |
| InChIKey | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
| SMILES | N1CCC(C(OCC)=O)CC1 |
| LogP (Verteilungskoeffizient) | 1.15 |
| CAS Datenbank | 1126-09-6(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl piperidine-4-carboxylate(1126-09-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 22 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19718Ethyl 4-piperidinecarboxylate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29333999 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-36-26 |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of:• ;SMN protein modulators1• ;β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjugate addition2• ;Nitroethylenediamines by nucleophilic ring opening of nitroimidazolidinone3• ;RhoA inhibitors for cardiovascular disease therapy4• ;Saccharin derived Mannich bases as antimicrobials and antioxidants5Reactant for one-pot reductive amination and Suzuki-Miyaura cross coupling of formyl aryl and heteroaryl MIDA boronates6