2,3-Diethylpyrazine
PubChem CID: 27458
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| Compound Synonyms | 2,3-DIETHYLPYRAZINE, 15707-24-1, Pyrazine, 2,3-diethyl-, shoyu pyrazine, FEMA No. 3136, 2,3-Diethyl-pyrazine, EINECS 239-800-1, UNII-AD31A42VY0, AD31A42VY0, DTXSID6047101, DTXCID4027101, FEMA 3136, 2,3-DIETHYLPYRAZINE [FHFI], Pyrazine, diethyl-, MFCD00006151, 23-Diethyl-pyrazine, 2,3-Diethylpyrazine, 98%, CHEMBL327303, SCHEMBL1131513, CHEBI:166525, Tox21_301820, 2,3-Diethylpyrazine, >=98%, FG, AKOS015838584, NCGC00255463-01, AC-16406, AS-57714, CAS-15707-24-1, DB-019731, CS-0196830, D1581, NS00012223, D89888, 2,3-Diethylpyrazine, analytical reference material, Q27273877, 239-800-1 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Flavour component in cooked foods, e.g. baked potato, wheat bread and roasted filbert. Flavouring ingredient. 2,3-Diethylpyrazine is found in cereals and cereal products, nuts, and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-diethylpyrazine |
| Prediction Hob | 1.0 |
| Class | Diazines |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrazines |
| Molecular Formula | C8H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZXXANJCCWGCSV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.03 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.496 |
| Synonyms | 2,3-Diethyl-pyrazine, FEMA 3136, Pyrazine, 2,3-diethyl- |
| Substituent Name | Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | 2,3-Diethylpyrazine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9477276 |
| Inchi | InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 |
| Smiles | CCC1=NC=CN=C1CC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all