1.02010-04-08 22:06:14 UTC2019-11-26 03:00:01 UTCFDB0044295-Methyl-2-ethyl-pyrazine2-ethyl-5-methylpyrazine, 9ci, 8ci, also known as 2,5-methylethylpyrazine or fema 3154, 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-5-methylpyrazine, 9ci, 8ci is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-5-methylpyrazine, 9ci, 8ci is a sweet, bean, and coffee tasting compound and can be found in a number of food items such as cereals and cereal products, fenugreek, coffee and coffee products, and tea, which makes 2-ethyl-5-methylpyrazine, 9ci, 8ci a potential biomarker for the consumption of these food products. C7H10N2122.171122.084398332-ethyl-5-methylpyrazinepyrazine, 2-ethyl-5-methyl-13360-64-0CCC1=CN=C(C)C=N1InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3OXCKCFJIKRGXMM-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.PyrazinesOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrazinesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundPyrazinelogp1.18logs-0.20solubility7.72e+01 g/llogp0.5pka_strongest_basic1.48iupac2-ethyl-5-methylpyrazineaverage_mass122.171mono_mass122.08439833smilesCCC1=CN=C(C)C=N1formulaC7H10N2inchiInChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3inchikeyOXCKCFJIKRGXMM-UHFFFAOYSA-Npolar_surface_area25.78refractivity35.55polarizability13.87rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::EiMs1811Specdb::CMs17514Specdb::CMs171511Specdb::MsIr9306Specdb::MsIr9307Specdb::MsMs46026Specdb::MsMs46027Specdb::MsMs46028Specdb::MsMs134109Specdb::MsMs134110Specdb::MsMs134111Specdb::MsMs3045088Specdb::MsMs3045089Specdb::MsMs3045090Specdb::MsMs3094621Specdb::MsMs3094622Specdb::MsMs3094623Specdb::NmrOneD47522Specdb::NmrOneD47523Specdb::NmrOneD47524Specdb::NmrOneD47525Specdb::NmrOneD47526Specdb::NmrOneD47527Specdb::NmrOneD47528Specdb::NmrOneD47529Specdb::NmrOneD47530Specdb::NmrOneD47531Specdb::NmrOneD47532Specdb::NmrOneD47533Specdb::NmrOneD47534Specdb::NmrOneD47535Specdb::NmrOneD47536Specdb::NmrOneD47537Specdb::NmrOneD47538Specdb::NmrOneD47539Specdb::NmrOneD47540Specdb::NmrOneD47541Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442fruitsweet