| Pubchem ID | 24510 |
|---|---|
| CAS | 7779-16-0 |
| IUPAC name | cyclohexyl 2-aminobenzoate |
| Synonyms | Cyclohexyl 2-aminobenzoate|Benzoic acid, 2-amino-, cyclohexyl ester|Anthranilic acid, cyclohexyl ester |
| Categories | Flavor enhancer |
| SMILES | C1CCC(CC1)OC(=O)C2=CC=CC=C2N |
| InCheykey | InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2 |
| 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 |
|---|---|---|---|---|
| 219.284 | 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 | 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 | Non-Irritant | Non-Irritant | Degradable |