1.02010-04-08 22:09:28 UTC2019-11-26 03:04:34 UTCFDB011112MethylpyrazineMethylpyrazine is a flavouring agent. It is found in many foods, e.g. bakery products, dairy products, meats, baked or French fried potato, roasted barley, cocoa, coffee, tea, roasted filbert, roasted pecan, peanut, soy products, rum and whisky.2-Methyl-1,4-diazine2-Methyl-pyrazine2-MethylpyrazineFEMA 3309Methyl-pyrazinePyrazine, 2-methyl-Pyrazine, methyl-C5H6N294.114594.0530982022-methylpyrazine2-methylpyrazine109-08-0CC1=CN=CC=N1InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3CAWHJQAVHZEVTJ-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 compoundPyrazineLiquidlogp0.19logs0.55solubility3.35e+02 g/lmelting_point-29 oClogp-0.33pka_strongest_basic1.42iupac2-methylpyrazineaverage_mass94.1145mono_mass94.053098202smilesCC1=CN=CC=N1formulaC5H6N2inchiInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3inchikeyCAWHJQAVHZEVTJ-UHFFFAOYSA-Npolar_surface_area25.78refractivity26.34polarizability9.73rotatable_bond_count0acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr5951Specdb::MsIr5952Specdb::CMs19748Specdb::CMs28909Specdb::CMs29393Specdb::CMs101297Specdb::CMs101298Specdb::CMs168581Specdb::NmrOneD118058Specdb::NmrOneD118059Specdb::NmrOneD118060Specdb::NmrOneD118061Specdb::NmrOneD118062Specdb::NmrOneD118063Specdb::NmrOneD118064Specdb::NmrOneD118065Specdb::NmrOneD118066Specdb::NmrOneD118067Specdb::NmrOneD118068Specdb::NmrOneD118069Specdb::NmrOneD118070Specdb::NmrOneD118071Specdb::NmrOneD118072Specdb::NmrOneD118073Specdb::NmrOneD118074Specdb::NmrOneD118075Specdb::NmrOneD118076Specdb::NmrOneD118077Specdb::MsMs51894Specdb::MsMs51895Specdb::MsMs51896Specdb::MsMs170010Specdb::MsMs170011Specdb::MsMs170012Specdb::MsMs1478830Specdb::MsMs1478831Specdb::MsMs1478832Specdb::MsMs1478833Specdb::MsMs1478834Specdb::MsMs1478835Specdb::MsMs1478836Specdb::MsMs1478837Specdb::MsMs1478838Specdb::MsMs1478839Specdb::MsMs1478840Specdb::MsMs1478841Specdb::MsMs1478842Specdb::MsMs1478843Specdb::MsMs2351008Specdb::MsMs2351009Specdb::MsMs2351010Specdb::MsMs2588617Specdb::MsMs2588618HMDB33112#<Reference:0x0000555674c85300>#<Reference:0x0000555674c85080>#<Reference:0x0000555674c84ec8>#<Reference:0x0000555674c84ce8>#<Reference:0x0000555674c84a90>#<Reference:0x0000555674c848b0>#<Reference:0x0000555674c846d0>#<Reference:0x0000555674c84450>#<Reference:0x0000555674c84298>#<Reference:0x0000555674c840b8>#<Reference:0x0000555674c87bc8>Alcoholic beveragesUnknowngenericAsparagusType 1specificAsparagus officinalis4686Black teaType 1Breakfast cerealType 2specificCereals and cereal productsUnknowngenericCocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641CornType 1specificZea mays45770.00.00.0mg/LFenugreekType 1specificTrigonella foenum-graecum78534Green teaType 1Herbal teaType 1KohlrabiType 1specificBrassica oleracea var. gongylodes1093790.0080.0080.008mg/100 gMilk and milk productsUnknowngenericMung beanType 1specificVigna radiata157791NutsUnknowngenericPulsesUnknowngenericRed teaType 1Soy beanType 1specificGlycine max3847TacoType 2specific0.00.00.0mg/100 gTeaType 1specificCamellia sinensis4442TortillaType 2specific0.00.00.0mg/100 gTortilla chipType 2specificchocolatecocoagreennuttypeanutpopcornroasted