HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-Butyl 4-ethynylpiperidine-1-carboxylate
TERT-BUTYL 4-ETHYNYLPIPERIDINE-1-CARBOXYLATE · 1-Boc-4-ethynylpiperidin · 1-Boc-4-ethynylpiperidine · N-Boc-4-ethynylpiperidine · ert-butyl4-ethynylpiperidine-1-carboxylate · Tert-butyl4-ethynylpiperidin-1-carboxylate · tert-butyl 4-ethynyl-1-piperidinecarboxylate · 4-Ethynyl-piperidine-1-carboxylic acid tert-butyl ester
Identifikatoren & physikalische Daten
| CAS No. | 287192-97-6 |
|---|---|
| Summenformel | C12H19NO2 |
| Durchschnittliche Molmasse | 209,28 g/mol |
| Monoisotopische Masse | 209,14157885 g/mol |
| SMILES | C#CC1CCN(C(=O)OC(C)(C)C)CC1 |
| InChIKey | INUWDZDWSJJFSQ-UHFFFAOYSA-N |
| PubChem CID | 15550481 |
| EC No. | 800-751-1 |
| DTXSID | DTXSID90573995 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 274 |
| Siedepunkt | 269.6±29.0 °C(Predicted) |
| Dichte | 1.02±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -2.20±0.40(Predicted) |
| InChI | InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3 |
| InChIKey | INUWDZDWSJJFSQ-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC(C#C)CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
tert-Butyl 4-Ethynylpiperidine-1-carboxylate is a useful research chemical.