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2,2,5,5-Tetramethylpyrrolidin-3-carboxamid
2,2,5,5-Tetramethyl-3-prolinamide · 3-CarbaMoyl-2,2,5,5-tetraMethylpyrrolidine · 2,2,5,5-tetramethyl-3-pyrrolidinecarboxamid · 2,2,5,5-TETRAMETHYLPYRROLIDINE-3-CARBOXAMIDE · 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl- · 3-AMinocarbonyl-2,2,5,5-tetraMethylpyrrolidine · 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide,97+% · 2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide, 95+%
Identifikatoren & physikalische Daten
| CAS No. | 702-96-5 |
|---|---|
| Summenformel | C9H18N2O |
| Durchschnittliche Molmasse | 170,25 g/mol |
| Monoisotopische Masse | 170,1419132 g/mol |
| SMILES | CC1(C)CC(C(N)=O)C(C)(C)N1 |
| InChIKey | POAGFQOGFRYOFM-UHFFFAOYSA-N |
| PubChem CID | 69708 |
| EC No. | 211-871-3 |
| DTXSID | DTXSID40883556 |
| Lokaler Name | 2,2,5,5-Tetramethylpyrrolidin-3-carboxamid |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 209 |
| Schmelzpunkt | 128-131 °C (lit.) |
| Siedepunkt | 299.91°C (rough estimate) |
| Dichte | 1.0114 (rough estimate) |
| Brechungsindex | 1.4790 (estimate) |
| Löslichkeit | soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| pKa (Säurekonstante) | 16.52±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| InChI | 1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12) |
| InChIKey | POAGFQOGFRYOFM-UHFFFAOYSA-N |
| SMILES | CC1(C)CC(C(N)=O)C(C)(C)N1 |
| CAS Datenbank | 702-96-5(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl- (702-96-5) |
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 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (cas# 702-96-5) is a compound useful in organic synthesis.