1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:45 UTC FDB019662 2,3-Diethyl-5,6-dimethylpyrazine Roast coffee aroma constituent 2,3-Diethyl-5,6-dimethylpyrazine is found in coffee and coffee products. 2,3-diethyl-5,6-dimethyl-pyrazine C10H16N2 164.2474 164.131348522 2,3-diethyl-5,6-dimethylpyrazine 2,3-diethyl-5,6-dimethylpyrazine 106060-96-2 CCC1=C(CC)N=C(C)C(C)=N1 InChI=1S/C10H16N2/c1-5-9-10(6-2)12-8(4)7(3)11-9/h5-6H2,1-4H3 YAGSHZPMYHTMPZ-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 2.61 ALOGPS logs -1.88 ALOGPS solubility 2.17e+00 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_basic 1.98 ChemAxon iupac 2,3-diethyl-5,6-dimethylpyrazine ChemAxon average_mass 164.2474 ChemAxon mono_mass 164.131348522 ChemAxon smiles CCC1=C(CC)N=C(C)C(C)=N1 ChemAxon formula C10H16N2 ChemAxon inchi InChI=1S/C10H16N2/c1-5-9-10(6-2)12-8(4)7(3)11-9/h5-6H2,1-4H3 ChemAxon inchikey YAGSHZPMYHTMPZ-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 49.36 ChemAxon polarizability 19.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25565 Specdb::CMs 156466 Specdb::MsIr 8416 Specdb::MsIr 8417 Specdb::MsMs 322654 Specdb::MsMs 322655 Specdb::MsMs 322656 Specdb::MsMs 370612 Specdb::MsMs 370613 Specdb::MsMs 370614 Specdb::MsMs 2762740 Specdb::MsMs 2762741 Specdb::MsMs 2762742 Specdb::MsMs 2946885 Specdb::MsMs 2946886 Specdb::MsMs 2946887 Specdb::NmrOneD 37542 Specdb::NmrOneD 37543 Specdb::NmrOneD 37544 Specdb::NmrOneD 37545 Specdb::NmrOneD 37546 Specdb::NmrOneD 37547 Specdb::NmrOneD 37548 Specdb::NmrOneD 37549 Specdb::NmrOneD 37550 Specdb::NmrOneD 37551 Specdb::NmrOneD 37552 Specdb::NmrOneD 37553 Specdb::NmrOneD 37554 Specdb::NmrOneD 37555 Specdb::NmrOneD 37556 Specdb::NmrOneD 37557 Specdb::NmrOneD 37558 Specdb::NmrOneD 37559 Specdb::NmrOneD 37560 Specdb::NmrOneD 37561 HMDB39980 #<Reference:0x000055ce32a823b0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390