| Pubchem ID | 26333 |
|---|---|
| CAS | 13925-06-9 |
| IUPAC name | 2-methyl-3-(2-methylpropyl)pyrazine |
| Synonyms | 2-Methyl-3-(2-methylpropyl)pyrazine|2-isobutyl-3-methyl pyrazine|Pyrazine, 2-methyl-3-(2-methylpropyl)-|2-Methyl-3-isobutylpyrazine |
| Categories | Flavor enhancer |
| SMILES | CC1=NC=CN=C1CC(C)C |
| InCheykey | InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 150.225 | 0 | 2 | 2 | 25.8 |
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 | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |