| Pubchem ID | 72941560 |
|---|---|
| CAS | 51115-77-6 |
| IUPAC name | N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-2,2-di(propan-2-yl)butanamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)C(C(C)C)(C(C)C)C(=O)NC(C)(C)CO |
| InCheykey | InChI=1S/C15H31NO2/c1-10(2)15(11(3)4,12(5)6)13(18)16-14(7,8)9-17/h10-12,17H,9H2,1-8H3,(H,16,18) |
| 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 |
|---|---|---|---|---|
| 257.418 | 2 | 2 | 6 | 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 | Slightly Soluble | 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 | Irritant | Non-Irritant | Irritant | Degradable |