1.0 2010-04-08 22:12:02 UTC 2020-09-17 15:34:19 UTC FDB015755 2,6-Diethylpyrazine 2,6-Diethylpyrazine belongs to the class of organic compounds known as alkylpyrazines. Alkylpyrazines are chemical compounds based on pyrazine with different substitution patterns. A pyrazine ring consists of a six-membered aromatic heterocycle that contains two nitrogen atoms (in positions 1 and 4) and four carbon atoms. 2,6-Diethylpyrazine is a diethylated derivative of pyrazine and it is a moderately basic compound (based on its pKa). 2,6-Diethylpyrazine has been detected, but not quantified in coffee and coffee products. Some alkylpyrazines are naturally occurring, highly aromatic substances which often have a very low odor threshold and contribute to the taste and aroma of various foods including coffee and wines. Alkylpyrazines are also formed during the cooking of some foods via Maillard reactions. 2,6-Diethyl-pyrazine Pyrazine, 2,6-diethyl- C8H12N2 136.1943 136.100048394 2,6-diethylpyrazine 2,6-diethylpyrazine 13067-27-1 CCC1=CN=CC(CC)=N1 InChI=1S/C8H12N2/c1-3-7-5-9-6-8(4-2)10-7/h5-6H,3-4H2,1-2H3 QDWOWLUANUBTGE-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 1.62 ALOGPS logs -0.60 ALOGPS solubility 3.44e+01 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_basic 1.8 ChemAxon iupac 2,6-diethylpyrazine ChemAxon average_mass 136.1943 ChemAxon mono_mass 136.100048394 ChemAxon smiles CCC1=CN=CC(CC)=N1 ChemAxon formula C8H12N2 ChemAxon inchi InChI=1S/C8H12N2/c1-3-7-5-9-6-8(4-2)10-7/h5-6H,3-4H2,1-2H3 ChemAxon inchikey QDWOWLUANUBTGE-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.18 ChemAxon polarizability 15.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24350 Specdb::CMs 165818 Specdb::NmrOneD 137010 Specdb::NmrOneD 137011 Specdb::NmrOneD 137012 Specdb::NmrOneD 137013 Specdb::NmrOneD 137014 Specdb::NmrOneD 137015 Specdb::NmrOneD 137016 Specdb::NmrOneD 137017 Specdb::NmrOneD 137018 Specdb::NmrOneD 137019 Specdb::NmrOneD 137020 Specdb::NmrOneD 137021 Specdb::NmrOneD 137022 Specdb::NmrOneD 137023 Specdb::NmrOneD 137024 Specdb::NmrOneD 137025 Specdb::NmrOneD 137026 Specdb::NmrOneD 137027 Specdb::NmrOneD 137028 Specdb::NmrOneD 137029 Specdb::MsMs 94293 Specdb::MsMs 94294 Specdb::MsMs 94295 Specdb::MsMs 158313 Specdb::MsMs 158314 Specdb::MsMs 158315 Specdb::MsMs 2464107 Specdb::MsMs 2464108 Specdb::MsMs 2464109 Specdb::MsMs 2502068 Specdb::MsMs 2502069 Specdb::MsMs 2502070 Specdb::MsIr 7315 Specdb::MsIr 7316 HMDB36809 #<Reference:0x000055ce306309a8> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390