1.02010-04-08 22:12:02 UTC2019-11-26 03:12:09 UTCFDB0157542,5-DiethylpyrazineConstituent of roasted coffee beans. It is used in food flavouring. 2,5-Diethylpyrazine is found in coffee and coffee products.2,5-Diethyl-pyrazinePyrazine, 2,5-diethyl-C8H12N2136.1943136.1000483942,5-diethylpyrazine2,5-diethylpyrazine13238-84-1CCC1=CN=C(CC)C=N1InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3WAVOLMBVDCRBGR-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 compoundPyrazinelogp1.61logs-0.59solubility3.49e+01 g/llogp1.2pka_strongest_basic1.37iupac2,5-diethylpyrazineaverage_mass136.1943mono_mass136.100048394smilesCCC1=CN=C(CC)C=N1formulaC8H12N2inchiInChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3inchikeyWAVOLMBVDCRBGR-UHFFFAOYSA-Npolar_surface_area25.78refractivity40.18polarizability15.81rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs15634Specdb::CMs134629Specdb::CMs142363Specdb::MsIr7313Specdb::MsIr7314Specdb::NmrOneD136990Specdb::NmrOneD136991Specdb::NmrOneD136992Specdb::NmrOneD136993Specdb::NmrOneD136994Specdb::NmrOneD136995Specdb::NmrOneD136996Specdb::NmrOneD136997Specdb::NmrOneD136998Specdb::NmrOneD136999Specdb::NmrOneD137000Specdb::NmrOneD137001Specdb::NmrOneD137002Specdb::NmrOneD137003Specdb::NmrOneD137004Specdb::NmrOneD137005Specdb::NmrOneD137006Specdb::NmrOneD137007Specdb::NmrOneD137008Specdb::NmrOneD137009Specdb::MsMs7307Specdb::MsMs7308Specdb::MsMs7309Specdb::MsMs13979Specdb::MsMs13980Specdb::MsMs13981Specdb::MsMs2715319Specdb::MsMs2715320Specdb::MsMs2715321Specdb::MsMs2966202Specdb::MsMs2966203Specdb::MsMs2966204HMDB36808#<Reference:0x0000555674f79ae8>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390