| Pubchem ID | 22182807 |
|---|---|
| CAS | 883215-02-9 |
| IUPAC name | N-(2-hydroxyethyl)-2,3-dimethyl-2-propan-2-ylbutanamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)C(C)(C(C)C)C(=O)NCCO |
| InCheykey | InChI=1S/C11H23NO2/c1-8(2)11(5,9(3)4)10(14)12-6-7-13/h8-9,13H,6-7H2,1-5H3,(H,12,14) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 201.31 | 2 | 2 | 5 | 49.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Non-Irritant | Degradable |