| Pubchem ID | 18467 |
|---|---|
| CAS | 3149-28-8 |
| IUPAC name | 2-methoxypyrazine |
| Synonyms | 2-Methoxypyrazine|Pyrazine, methoxy-|2-Methoxy-pyrazine|2-Methoxy-1,4-diazine|Pyrazine, 2-methoxy- |
| Categories | Flavor enhancer |
| SMILES | COC1=NC=CN=C1 |
| InCheykey | InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,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 |
|---|---|---|---|---|
| 110.116 | 0 | 3 | 1 | 35.0 |
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 | Low | 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 |