1.02010-04-08 22:11:35 UTC2019-11-26 03:11:04 UTCFDB0149936,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazineFormed from cysteine and rhamnose under roasting conditions. Found in beef, coffee, cocoa, earth almond (Cyperus esulentus), roast almonds, walnut and hazelnut. Flavouring ingredient2,3-dimethyl-6,7-dihydro-5h-cyclopentapyrazineFEMA 3917C9H12N2148.205148.1000483942,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazine2,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazine38917-63-4CC1=NC2=C(CCC2)N=C1CInChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3AIKNQWWUQFXNAZ-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 heteropolycyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsAromatic heteropolycyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundPyrazinelogp1.83logs-1.23solubility8.76e+00 g/lmelting_pointMp 25-27°logp0.56pka_strongest_basic1.93iupac2,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazineaverage_mass148.205mono_mass148.100048394smilesCC1=NC2=C(CCC2)N=C1CformulaC9H12N2inchiInChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3inchikeyAIKNQWWUQFXNAZ-UHFFFAOYSA-Npolar_surface_area25.78refractivity42.96polarizability17.24rotatable_bond_count0acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs24597Specdb::CMs170521Specdb::MsIr7121Specdb::MsIr7122Specdb::MsMs97503Specdb::MsMs97504Specdb::MsMs97505Specdb::MsMs162234Specdb::MsMs162235Specdb::MsMs162236Specdb::MsMs2805168Specdb::MsMs2805169Specdb::MsMs2805170Specdb::MsMs2876630Specdb::MsMs2876631Specdb::MsMs2876632Specdb::NmrOneD133858Specdb::NmrOneD133859Specdb::NmrOneD133860Specdb::NmrOneD133861Specdb::NmrOneD133862Specdb::NmrOneD133863Specdb::NmrOneD133864Specdb::NmrOneD133865Specdb::NmrOneD133866Specdb::NmrOneD133867Specdb::NmrOneD133868Specdb::NmrOneD133869Specdb::NmrOneD133870Specdb::NmrOneD133871Specdb::NmrOneD133872Specdb::NmrOneD133873Specdb::NmrOneD133874Specdb::NmrOneD133875Specdb::NmrOneD133876Specdb::NmrOneD133877HMDB36142#<Reference:0x00005556763ed8f8>Arabica coffeeType 1specificCoffea arabica13443Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641Coffee and coffee productsUnknowngenericNutsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390