HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzylpiperidin-4-carbaldehyd
Benzylpiperidine-4-carboxaldehyde · 1-Benzylpiperidine-4-carboxaldehyde · 1-BENZYL-4-PIPERIDINECARBOXALDEHYDE · N-Benzyl-4-Piperidinecarboxaldehyde95% · N-Benzylpiperidine-4-carboxaldehyde 95% · 1-(Phenylmethyl)-4-piperidinecarbaldehyde · 1-(Phenylmethyl)-4-piperidinecarboxaldehyde · 1-Benzyl-4-piperidinecarboxaldehyde,1-Benzyl-4-formylpiperidine
Identifikatoren & physikalische Daten
| CAS No. | 22065-85-6 |
|---|---|
| Summenformel | C13H17NO |
| Durchschnittliche Molmasse | 203,28 g/mol |
| Monoisotopische Masse | 203,13101417 g/mol |
| SMILES | O=CC1CCN(Cc2ccccc2)CC1 |
| InChIKey | SGIBOXBBPQRZDM-UHFFFAOYSA-N |
| PubChem CID | 89584 |
| EC No. | 244-757-7 |
| DTXSID | DTXSID20176554 |
| Lokaler Name | 1-Benzylpiperidin-4-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 191 |
| Schmelzpunkt | 145-149 °C |
| Siedepunkt | 315.4 °C/760 mmHg |
| Dichte | 1.026 g/mL at 25 °C |
| Brechungsindex | n20/D 1.537 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Acetone (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Sli |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.04±0.10(Predicted) |
| Farbe | Clear colorless to pale yellow |
| InChI | InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2 |
| InChIKey | SGIBOXBBPQRZDM-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCC(C=O)CC1 |
| CAS Datenbank | 22065-85-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (10.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.4%)Skin Irrit. 2 (10.6%)Eye Dam. 1 (89.4%)Eye Irrit. 2 (10.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 25-41 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-28-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Dam. 1 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Reactant for:Stereospecific allylic alkylationReactions of Grignard reagents with carbonyl compoundsFluorodenitrations and nitrodehalogenations for labeled PET ligands and fluoropharmaceuticalsSelective α1 receptor antagonistsReactant for synthesis of:DonepezilMCH-R1 antagonists