HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N-Diethylpiperidin-3-carboxamid
LABOTEST-BB LT00159306 · N,N-Diethylnipeotamide · n,n-diethyl-nipecotamid · N,N-Diethylnipecotamide · N,N-Diethylnipecotamide, tech. · N,N-Diethylnipecotamide,75%,tech. · 3-(N,N-Diethylcarbamoyl)piperidine · n,n-diethyl-3-piperidinecarboxamid
Identifikatoren & physikalische Daten
| CAS No. | 3367-95-1 |
|---|---|
| Summenformel | C10H20N2O |
| Durchschnittliche Molmasse | 184,28 g/mol |
| Monoisotopische Masse | 184,15756327 g/mol |
| SMILES | CCN(CC)C(=O)C1CCCNC1 |
| InChIKey | ZXQKYQVJDRTTLZ-UHFFFAOYSA-N |
| PubChem CID | 18793 |
| EC No. | 222-136-1 |
| DTXSID | DTXSID40955287 |
| Lokaler Name | N,N-Diethylpiperidin-3-carboxamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 166 |
| Siedepunkt | 111 °C6.1 mm Hg(lit.) |
| Dichte | 0.989 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.489(lit.) |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 9.59±0.10(Predicted) |
| Aggregatzustand | liquid |
| InChI | 1S/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3 |
| InChIKey | ZXQKYQVJDRTTLZ-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(=O)C1CCCNC1 |
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 39 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | QU1920000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N,N-Diethylnipecotamide is a reactant for synthesis of: Antituberculosis drugs1 Spiroimidazolidinone NPC1L1 inhibitors2 Acyl-CoA:cholesterol acyltransferase inhibitors3 Alpha 7 nicotinic acetylcholine receptor agonist4 Antimycobacterials5 Isocyanoamides useful as starting materials in IMCR6