2-Ethyl-5-methylpyrazine

Chemical Information
2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of pyrazines.
| CAS Number | 13360-64-0 |
| PubChem CID | 25915 |
| IUPAC Name | 2-ethyl-5-methylpyrazine |
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.17 |
| XLogP | 1 |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83 |
| Property | Value |
|---|---|
| Molecular Weight | 122.17 |
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.084398327 |
| Monoisotopic Mass | 122.084398327 |
| Topological Polar Surface Area | 25.8 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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