| Pubchem ID | 6877 |
|---|---|
| CAS | 87-25-2 |
| IUPAC name | ethyl 2-aminobenzoate |
| Synonyms | Ethyl 2-aminobenzoate|Ethyl o-aminobenzoate|Anthranilic acid, ethyl ester|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline |
| Categories | Flavor enhancer |
| SMILES | CCOC(=O)C1=CC=CC=C1N |
| InCheykey | InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 165.192 | 1 | 3 | 3 | 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 | Optimal Solubility | Binder | Low | 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 |