| Pubchem ID | 134989051 |
|---|---|
| CAS | 9004-30-2 |
| IUPAC name | 4-benzyl-5-cyclohexyl-3,4-dihydro-2H-pyrrole |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | C1CCC(CC1)C2=NCCC2CC3=CC=CC=C3 |
| InCheykey | InChI=1S/C17H23N/c1-3-7-14(8-4-1)13-16-11-12-18-17(16)15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2 |
| Natural | nan |
| E No. | E1525 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 241.378 | 0 | 1 | 3 | 12.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |