| Pubchem ID | 8471 |
|---|---|
| CAS | 121-44-8 |
| IUPAC name | N,N-diethylethanamine |
| Synonyms | N,N-Diethylethanamine|Ethanamine, N,N-diethyl-|(Diethylamino)ethane|Triethylamin|triethyl amine|Triaethylamin |
| Categories | Flavor enhancer |
| SMILES | CCN(CC)CC |
| InCheykey | InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 101.193 | 0 | 1 | 3 | 3.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |