2-Isobutyl-3-methyl pyrazine
PubChem CID: 26333
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| Compound Synonyms | 2-ISOBUTYL-3-METHYLPYRAZINE, 13925-06-9, 2-Methyl-3-(2-methylpropyl)pyrazine, 2-isobutyl-3-methyl pyrazine, 2-Methyl-3-isobutylpyrazine, Pyrazine, 2-methyl-3-(2-methylpropyl)-, FEMA No. 3133, 11EP4V0M9Z, Pyrazine, 2-isobutyl-3-methyl-, EINECS 237-693-6, MFCD00059770, 3-Methyl-2-isobutyl pyrazine, DTXSID2065678, ZHMIODDNZRIENW-UHFFFAOYSA-, 2-ISOBUTYL-3-METHYL PYRAZINE [FHFI], PYRAZINE, 2-METHYL-3-(2-METHYLPROPYL), UNII-11EP4V0M9Z, 2-Isobutyl-3-methyl-pyrazine, CHEMBL95102, SCHEMBL1532455, DTXCID0034514, FEMA 3133, CHEBI:193682, 2-Isobutyl-3-methylpyrazine, 8CI, 2-(2-Methylpropyl)-3-methylpyrazine, AKOS015837529, 2-Methyl-3-(2-methylpropyl)-Pyrazine, DS-16269, SY052408, 2-Isobutyl-3-methylpyrazine, >=99%, FG, DB-003280, CS-0154244, I0337, NS00021637, T71753, Q27251319, 237-693-6 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ZHMIODDNZRIENW-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Isobutyl-3-methyl-pyrazine, 2-Isobutyl-3-methylpyrazine, 2-Isobutyl-3-methylpyrazine, 8CI, 2-Methyl-3-(2-methylpropyl)-pyrazine, 2-Methyl-3-isobutylpyrazine, 3-Methyl-2-isobutyl pyrazine, FEMA 3133, Pyrazine, 2-isobutyl-3-methyl-, Pyrazine, 2-methyl-3-(2-methylpropyl)- |
| Heavy Atom Count | 11.0 |
| Compound Name | 2-Isobutyl-3-methyl pyrazine |
| Description | Present in seed oils of red pepper and pumpkinand is) also present in coffee aroma and baked or chipped potatoes. Flavouring ingredient. 2-Methyl-3-(2-methylpropyl)pyrazine is found in coffee and coffee products, root vegetables, and potato. |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-(2-methylpropyl)pyrazine |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.2778313636363636 |
| Inchi | InChI=1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3 |
| Smiles | CC1=NC=CN=C1CC(C)C |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H14N2 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients