| Pubchem ID | 24116 |
|---|---|
| CAS | 7493-63-2 |
| IUPAC name | prop-2-enyl 2-aminobenzoate |
| Synonyms | Allyl 2-aminobenzoate|Anthranilic acid, allyl ester|2-Propenyl 2-aminobenzoate|Allyl O-aminobenzoate|2-Propen-1-yl anthranilate|Benzoic acid, 2-amino-, 2-propenyl ester|Vinyl carbinyl anthranilate|2-Propen-1-yl 2-aminobenzoate|FEMA No. 2020 |
| Categories | Flavor enhancer |
| SMILES | C=CCOC(=O)C1=CC=CC=C1N |
| InCheykey | InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2 |
| Natural | nan |
| 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 |
|---|---|---|---|---|
| 177.203 | 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 | Optimal Solubility | 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 |