| Pubchem ID | 26331 |
|---|---|
| CAS | 13925-00-3 |
| IUPAC name | 2-ethylpyrazine |
| Synonyms | Ethylpyrazine|Pyrazine, ethyl-|2-Ethyl-1,4-diazine|2-ethyl pyrazine|Moldin|Pyrazine, 2-ethyl-|FEMA No. 3281 |
| Categories | Flavor enhancer |
| SMILES | CCC1=NC=CN=C1 |
| InCheykey | InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3 |
| 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 |
|---|---|---|---|---|
| 108.144 | 0 | 2 | 1 | 25.8 |
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 | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |