| Pubchem ID | 2060829 |
|---|---|
| CAS | 53850-34-3 |
| IUPAC name | 2-(3-methylphenoxy)aniline |
| Synonyms | 2-(3-methylphenoxy)aniline|2-(m-Tolyloxy)aniline |
| Categories | Flavor enhancer |
| SMILES | CC1=CC(=CC=C1)OC2=CC=CC=C2N |
| InCheykey | InChI=1S/C13H13NO/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14/h2-9H,14H2,1H3 |
| Natural | YES |
| E No. | E957 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 199.253 | 1 | 2 | 2 | 35.2 |
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 | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |