2-ethyl pyrazine
AlkaPlorer ID: AK003798
Synonym: None
IUPAC Name: 2-ethylpyrazine
Structure
SMILES: CCC1=CN=CC=N1
InChI: InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKey: KVFIJIWMDBAGDP-UHFFFAOYSA-N
Reference
PubChem CID: 26331
CAS: 1392-50-3
LOTUS: LTS0030974
SuperNatural Ⅲ: SN0196328
COCONUT: CNP0259600
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theobroma cacao | Theobroma | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 108.14399999999998
TPSA？: 25.78
MolLogP？: 1.039
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Log 1/C | None | None | 10.1021/jm001129m |