HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Piperidin-1-yl)benzaldehyde
AKOS BC-2977 · TIMTEC-BB SBB010803 · IFLAB-BB F1274-0230 · 4-PIPERIDINOBENZALDEHYDE · 4-(1-Piperidyl)benzaldehyde · 1-(4-Formylphenyl)piperidine · 4-Piperdin-1-yl benzaldehyde · 4-(1-Piperidinyl)benzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 10338-57-5 |
|---|---|
| Summenformel | C12H15NO |
| Durchschnittliche Molmasse | 189,25 g/mol |
| Monoisotopische Masse | 189,1153641 g/mol |
| SMILES | O=Cc1ccc(N2CCCCC2)cc1 |
| InChIKey | ILJVPSVCFVQUAD-UHFFFAOYSA-N |
| PubChem CID | 291354 |
| ChEMBL | CHEMBL1599826 |
| EC No. | 627-145-8 |
| DTXSID | DTXSID80303081 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 179 |
| Schmelzpunkt | 61-64 °C |
| Siedepunkt | 344.3±25.0 °C(Predicted) |
| Dichte | 1.091±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 3.88±0.20(Predicted) |
| Aggregatzustand | solid |
| Farbe | Yellow |
| InChI | 1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2 |
| InChIKey | ILJVPSVCFVQUAD-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(cc1)N2CCCCC2 |
| CAS Datenbank | 10338-57-5(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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of:Anti-inflammatory agentsPiperidine incorporated α-aminophosphonates for antibacterial agents5-Hydroxyaurone derivatives as growth inhibitors against HUVEC and some cancer cell linesNR2B selective NMDA receptor antagonistsFulleropyrrolidinesFluorophores for monitoring polymerization processes