HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
BENZYL 4-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE · benzyl 4-(hydroxymethyl)piperidine-N-carboxylate · Z-PIC(4)-OL · Z-ISONIPECOTINOL · BUTTPARK 75\50-51 · Z-ISONICOT(H6)-OL · N-Cbz-4-(hydroxymethyL · N- Cbz-4-piperidinemethanol
Identifikatoren & physikalische Daten
| CAS No. | 122860-33-7 |
|---|---|
| Summenformel | C14H19NO3 |
| Durchschnittliche Molmasse | 249,3 g/mol |
| Monoisotopische Masse | 249,13649347 g/mol |
| SMILES | O=C(OCc1ccccc1)N1CCC(CO)CC1 |
| InChIKey | LINIORCIRVAZSM-UHFFFAOYSA-N |
| PubChem CID | 736490 |
| EC No. | 675-939-8 |
| DTXSID | DTXSID90353037 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 256 |
| Siedepunkt | 396.4±25.0 °C(Predicted) |
| Dichte | 1.162±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 14.94±0.10(Predicted) |
| CAS Datenbank | 122860-33-7(CAS DataBase Reference) |
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
Anwendungen & Verwendung
Verwenden
1-N-Cbz-hydroxymethyl-piperidine is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists.