1.0 2010-04-08 22:06:14 UTC 2019-11-26 03:00:01 UTC FDB004438 6-Methyl-2-ethyl-pyrazine 2-ethyl-6-methylpyrazine is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2-ethyl-6-methylpyrazine is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-6-methylpyrazine is a potato and roasted tasting compound and can be found in a number of food items such as tea, cereals and cereal products, nuts, and coffee and coffee products, which makes 2-ethyl-6-methylpyrazine a potential biomarker for the consumption of these food products. C7H10N2 122.171 122.08439833 2-ethyl-6-methylpyrazine 2-ethyl-6-methylpyrazine 13925-03-6 CCC1=NC(C)=CN=C1 InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3 RAFHQTNQEZECFL-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine logp 1.18 ALOGPS logs -0.21 ALOGPS solubility 7.62e+01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_basic 1.97 ChemAxon iupac 2-ethyl-6-methylpyrazine ChemAxon average_mass 122.171 ChemAxon mono_mass 122.08439833 ChemAxon smiles CCC1=NC(C)=CN=C1 ChemAxon formula C7H10N2 ChemAxon inchi InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3 ChemAxon inchikey RAFHQTNQEZECFL-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 35.55 ChemAxon polarizability 13.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9308 Specdb::MsIr 9309 Specdb::CMs 23323 Specdb::CMs 131912 Specdb::CMs 139646 Specdb::NmrOneD 47542 Specdb::NmrOneD 47543 Specdb::NmrOneD 47544 Specdb::NmrOneD 47545 Specdb::NmrOneD 47546 Specdb::NmrOneD 47547 Specdb::NmrOneD 47548 Specdb::NmrOneD 47549 Specdb::NmrOneD 47550 Specdb::NmrOneD 47551 Specdb::NmrOneD 47552 Specdb::NmrOneD 47553 Specdb::NmrOneD 47554 Specdb::NmrOneD 47555 Specdb::NmrOneD 47556 Specdb::NmrOneD 47557 Specdb::NmrOneD 47558 Specdb::NmrOneD 47559 Specdb::NmrOneD 47560 Specdb::NmrOneD 47561 Specdb::MsMs 43893 Specdb::MsMs 43894 Specdb::MsMs 43895 Specdb::MsMs 118545 Specdb::MsMs 118546 Specdb::MsMs 118547 Specdb::MsMs 2381945 Specdb::MsMs 2381946 Specdb::MsMs 2381947 Specdb::MsMs 2581254 Specdb::MsMs 2581255 Specdb::MsMs 2581256 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442