| Pubchem ID | 31268 |
|---|---|
| CAS | 123-75-1 |
| IUPAC name | pyrrolidine |
| Synonyms | Tetrahydropyrrole|Tetrahydro pyrrole|Azacyclopentane|Azolidine|Tetramethylenimine|Perhydropyrrole|Butylenimine|Prolamine|1-Azacyclopentane|Pyrrole, tetrahydro-|Pyrrolidine ring|Tetramethyleneimine|pyrrolidin |
| Categories | Flavor enhancer |
| SMILES | C1CCNC1 |
| InCheykey | InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 71.123 | 1 | 1 | 0 | 12.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |