HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzyl-4-piperidylamin
1-BENZYLPIPERIDIN-4-AMINE · 4-AMINO-N-BENZYLPIPERIDINE · 1-BENZYL-PIPERIDIN-4-YLAMINE · 4-(PIPERIDIN-1-YLMETHYL)ANILINE · 4-Piperi · AKOS B014375 · AKOS MSC-0180 · ASISCHEM W54645
Identifikatoren & physikalische Daten
| CAS No. | 50541-93-0 |
|---|---|
| Summenformel | C12H18N2 |
| Durchschnittliche Molmasse | 190,28 g/mol |
| Monoisotopische Masse | 190,14699858 g/mol |
| SMILES | NC1CCN(Cc2ccccc2)CC1 |
| InChIKey | YUBDLZGUSSWQSS-UHFFFAOYSA-N |
| PubChem CID | 415852 |
| ChEMBL | CHEMBL366500 |
| EC No. | 256-620-9 |
| DTXSID | DTXSID60198578 |
| Lokaler Name | 1-Benzyl-4-piperidylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 121-122 °C(Solv: water (7732-18-5)ethanol (64-17-5)) |
| Siedepunkt | 152 °C (9.7 mmHg) |
| Dichte | 0.933 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.543(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 10g/limmiscible |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.15±0.20(Predicted) |
| Farbe | Clear colorless to light yellow |
| pH | 11.4 (10g/l, H2O) |
| BRN | 146038 |
| InChI | 1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2 |
| InChIKey | YUBDLZGUSSWQSS-UHFFFAOYSA-N |
| SMILES | NC1CCN(CC1)Cc2ccccc2 |
| CAS Datenbank | 50541-93-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (92.3%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Amino-N-benzylpiperidine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (92.3%) |
| F | 8-10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTSkin Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Amino-1-benzylpiperidine was used in the preparation of:butyl 4-amino-1-piperidineacetate, key intermediate required for the synthesis of butyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidineacetate5-alkylimino-1,2,4-thiadiazolidine-3-ones, such as 4-ethyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-methyl-1,2,4-thiadiazolidin-3-one and 4-benzyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-isopropyl-1,2,4-thiadiazolidin-3-oneglycyrrhetinic acid derivatives