| Pubchem ID | 5610 |
|---|---|
| CAS | 51-67-2 |
| IUPAC name | 4-(2-aminoethyl)phenol |
| Synonyms | 4-(2-Aminoethyl)phenol|p-Tyramine|4-Hydroxyphenethylamine|2-(4-Hydroxyphenyl)ethylamine|Uteramine|Tocosine|Tyramin|Tyrosamine|4-Hydroxyphenylethylamine|Phenol, 4-(2-aminoethyl)- |
| Categories | Flavor enhancer |
| SMILES | C1=CC(=CC=C1CCN)O |
| InCheykey | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 137.182 | 2 | 2 | 2 | 46.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |