1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:58 UTC FDB021161 2,3-Diethylpyrazine Flavour component in cooked foods, e.g. baked potato, wheat bread and roasted filbert. Flavouring ingredient. 2,3-Diethylpyrazine is found in cereals and cereal products, nuts, and potato. 2,3-Diethyl-pyrazine FEMA 3136 Pyrazine, 2,3-diethyl- C8H12N2 136.1943 136.100048394 2,3-diethylpyrazine pyrazine, 2,3-diethyl- 15707-24-1 CCC1=C(CC)N=CC=N1 InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 GZXXANJCCWGCSV-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. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine logp 1.73 ALOGPS logs -0.62 ALOGPS solubility 3.24e+01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_basic 1.41 ChemAxon iupac 2,3-diethylpyrazine ChemAxon average_mass 136.1943 ChemAxon mono_mass 136.100048394 ChemAxon smiles CCC1=C(CC)N=CC=N1 ChemAxon formula C8H12N2 ChemAxon inchi InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 ChemAxon inchikey GZXXANJCCWGCSV-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.18 ChemAxon polarizability 15.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1869 Specdb::CMs 20528 Specdb::CMs 152433 Specdb::MsIr 9165 Specdb::MsIr 9166 Specdb::NmrOneD 45682 Specdb::NmrOneD 45683 Specdb::NmrOneD 45684 Specdb::NmrOneD 45685 Specdb::NmrOneD 45686 Specdb::NmrOneD 45687 Specdb::NmrOneD 45688 Specdb::NmrOneD 45689 Specdb::NmrOneD 45690 Specdb::NmrOneD 45691 Specdb::NmrOneD 45692 Specdb::NmrOneD 45693 Specdb::NmrOneD 45694 Specdb::NmrOneD 45695 Specdb::NmrOneD 45696 Specdb::NmrOneD 45697 Specdb::NmrOneD 45698 Specdb::NmrOneD 45699 Specdb::NmrOneD 45700 Specdb::NmrOneD 45701 Specdb::MsMs 53949 Specdb::MsMs 53950 Specdb::MsMs 53951 Specdb::MsMs 151377 Specdb::MsMs 151378 Specdb::MsMs 151379 Specdb::MsMs 1476797 Specdb::MsMs 1476798 Specdb::MsMs 1476799 Specdb::MsMs 1476800 Specdb::MsMs 1476801 Specdb::MsMs 1476802 Specdb::MsMs 1476803 Specdb::MsMs 1476804 Specdb::MsMs 1476805 Specdb::MsMs 1476806 Specdb::MsMs 1476807 Specdb::MsMs 2424625 Specdb::MsMs 2424626 Specdb::MsMs 2424627 Specdb::MsMs 2514877 Specdb::MsMs 2514878 Specdb::MsMs 2514879 HMDB41253 #<Reference:0x000055ac3eb3bfb0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Nuts Unknown generic Potato Type 1 specific Solanum tuberosum 4113 green hazelnut nutty pepper raw