| Pubchem ID | 24515 |
|---|---|
| CAS | 7779-77-3 |
| IUPAC name | 2-methylpropyl 2-aminobenzoate |
| Synonyms | Isobutyl 2-aminobenzoate|2-Methylpropyl 2-aminobenzoate|Isobutyl O-aminobenzoate|Anthranilic acid, isobutyl ester |
| Categories | Flavor enhancer |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1N |
| InCheykey | InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 193.246 | 1 | 3 | 4 | 52.3 |
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 | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Non-Irritant | Non-Degradable |