| Pubchem ID | 14296 |
|---|---|
| CAS | 1124-11-4 |
| IUPAC name | 2,3,5,6-tetramethylpyrazine |
| Synonyms | 2,3,5,6-Tetramethylpyrazine|1124-11-4|Ligustrazine|Pyrazine, tetramethyl-|Tetramethylpyrazin|Tetrapyrazine|Liqustrazine|2,3,5,6-Tetramethyl pyrazine|Ligustizine|Chuanxiongzine|TMPZ|FEMA No. 3237 |
| Categories | Flavor enhancer |
| SMILES | CC1=C(N=C(C(=N1)C)C)C |
| InCheykey | InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3 |
| 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 |
|---|---|---|---|---|
| 136.198 | 0 | 2 | 0 | 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 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |