| Pubchem ID | 5284369 |
|---|---|
| CAS | 87-29-6 |
| IUPAC name | [(E)-3-phenylprop-2-enyl] 2-aminobenzoate |
| Synonyms | Anthranilic acid cinnamyl ester|Cinnamylester kyseliny anthranilove|Cinnamyl anthranylate|Cinnamyl o-aminobenzoate|Cinnamyl 2-aminobenzoate|Cinnamyl alcohol, anthranilate|Anthranilic acid, cinnamyl ester|3-Phenyl-2-propenyl anthranilate |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N |
| InCheykey | InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+ |
| 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 |
|---|---|---|---|---|
| 253.301 | 1 | 3 | 5 | 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 |