HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(Piperidin-1-yl)aniline
AKOS B033104 · AKOS BB-8561 · ASISCHEM U80306 · BUTTPARK 96\57-89 · AKOS BBS-00006462 · TIMTEC-BB SBB003777 · 2-PIPERIDINOANILINE · 2-PIPERIDIN-1-YLANILINE
Identifikatoren & physikalische Daten
| CAS No. | 39643-31-7 |
|---|---|
| Summenformel | C11H16N2 |
| Durchschnittliche Molmasse | 176,26 g/mol |
| Monoisotopische Masse | 176,13134851 g/mol |
| SMILES | Nc1ccccc1N1CCCCC1 |
| InChIKey | OYECAJPUPWFCSL-UHFFFAOYSA-N |
| PubChem CID | 458795 |
| ChEMBL | CHEMBL5220689 |
| EC No. | 678-669-9 |
| DTXSID | DTXSID30332568 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 152 |
| Schmelzpunkt | 44-48 °C |
| Siedepunkt | 96 °C (1 mmHg) |
| Dichte | 1.074±0.06 g/cm3(Predicted) |
| Flammpunkt | 96-98°C/1mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 7.03±0.10(Predicted) |
| Farbe | Brown |
| BRN | 151856 |
| CAS Datenbank | 39643-31-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| UN-Transportnummer | 2811 |
| Zollcode | 29333999 |
| R-Sätze (R) | 20/21/22-36 |
| Gefahrensymbole | Xn,T,Xi |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-(1-Piperidino)aniline is used to prepare oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. It is also used to synthesize benzimidazole derivatives as AMP-activated protein kinase activators.