1.02010-04-08 22:14:45 UTC2019-11-26 03:18:21 UTCFDB0200223-Ethyl-2,5-dimethylpyrazineIsolated from coffee. Constituent of numerous cooked foods. Organoleptic agent with nutty roasted odour. 3-Ethyl-2,5-dimethylpyrazine is found in tea, soft-necked garlic, and coffee and coffee products.2-Ethyl-3,5/6-dimethyl-pyrazine2,5-Dimethyl-3-ethylpyrazinePyrazine, 3-ethyl-2,5-dimethyl-C8H12N2136.1943136.1000483943-ethyl-2,5-dimethylpyrazine3-ethyl-2,5-dimethylpyrazine27043-05-6CCC1=NC(C)=CN=C1CInChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3WHMWOHBXYIZFPF-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 compoundPyrazinelogp1.59logs-0.80solubility2.14e+01 g/llogp0.63pka_strongest_basic1.93iupac3-ethyl-2,5-dimethylpyrazineaverage_mass136.1943mono_mass136.100048394smilesCCC1=NC(C)=CN=C1CformulaC8H12N2inchiInChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3inchikeyWHMWOHBXYIZFPF-UHFFFAOYSA-Npolar_surface_area25.78refractivity40.15polarizability15.86rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr5236Specdb::MsIr5237Specdb::CMs14142Specdb::CMs148766Specdb::MsMs46137Specdb::MsMs46138Specdb::MsMs46139Specdb::MsMs176592Specdb::MsMs176593Specdb::MsMs176594Specdb::MsMs2713169Specdb::MsMs2713170Specdb::MsMs2713171Specdb::MsMs2966148Specdb::MsMs2966149Specdb::MsMs2966150Specdb::NmrOneD112598Specdb::NmrOneD112599Specdb::NmrOneD112600Specdb::NmrOneD112601Specdb::NmrOneD112602Specdb::NmrOneD112603Specdb::NmrOneD112604Specdb::NmrOneD112605Specdb::NmrOneD112606Specdb::NmrOneD112607Specdb::NmrOneD112608Specdb::NmrOneD112609Specdb::NmrOneD112610Specdb::NmrOneD112611Specdb::NmrOneD112612Specdb::NmrOneD112613Specdb::NmrOneD112614Specdb::NmrOneD112615Specdb::NmrOneD112616Specdb::NmrOneD112617HMDB32276#<Reference:0x0000555674053af0>Arabica coffeeType 1specificCoffea arabica13443Black teaType 1Coffee and coffee productsUnknowngenericGreen teaType 1Herbal teaType 1Red teaType 1Robusta coffeeType 1specificCoffea canephora49390Soft-necked garlicType 1specificAllium sativum L. var. sativum4682TeaType 1specificCamellia sinensis4442cocoanuttypotatoroastroasted