3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-
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+%
Identifiers & Physical Properties
| CAS No. | 702-96-5 |
|---|---|
| Molecular formula | C9H18N2O |
| Average molar mass | 170.25 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 209 |
| Melting point | 128-131 °C (lit.) |
| Boiling point | 299.91°C (rough estimate) |
| Density | 1.0114 (rough estimate) |
| Refractive index | 1.4790 (estimate) |
| Solubility | soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| pKa (acidity coefficient) | 16.52±0.60(Predicted) |
| Physical state | Solid |
| Color | 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 DataBase Reference | 702-96-5(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl- (702-96-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | 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%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (cas# 702-96-5) is a compound useful in organic synthesis.
Uses
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide may be used in the synthesis of its nitroxide, 3-carbamoyl-2,2,5,5-tetramethyl-1-pyrrolidinyloxy free radical.
General Description
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide (2,2,5,5-Tetramethylpyrrolidine-3-carboxamide) is a carboxamide of hydrogenated pyrrole derivative. Its synthesis by the hydrogenation of 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide has been reported. The antiarrhythmic activity of some of the derivatives of 2,2,5,5-tetramethylpyrrolidine-3-carboxamide has been evaluated.