1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:45 UTC FDB019664 Trimethyl-2-propenylpyrazine Constituent of roasted green tea aroma. Trimethyl-2-propenylpyrazine is found in tea. 2-Allyl-3,5,6-trimethylpyrazine C10H14N2 162.2316 162.115698458 2,3,5-trimethyl-6-(prop-2-en-1-yl)pyrazine 2,3,5-trimethyl-6-(prop-2-en-1-yl)pyrazine 55138-71-1 CC1=NC(C)=C(CC=C)N=C1C InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3 ZFPORMYSWAHSAQ-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 2.07 ALOGPS logs -1.70 ALOGPS solubility 3.26e+00 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_basic 1.85 ChemAxon iupac 2,3,5-trimethyl-6-(prop-2-en-1-yl)pyrazine ChemAxon average_mass 162.2316 ChemAxon mono_mass 162.115698458 ChemAxon smiles CC1=NC(C)=C(CC=C)N=C1C ChemAxon formula C10H14N2 ChemAxon inchi InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3 ChemAxon inchikey ZFPORMYSWAHSAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 49.38 ChemAxon polarizability 19.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12155 Specdb::CMs 134497 Specdb::CMs 142231 Specdb::MsIr 8420 Specdb::MsIr 8421 Specdb::MsMs 292741 Specdb::MsMs 292742 Specdb::MsMs 292743 Specdb::MsMs 333031 Specdb::MsMs 333032 Specdb::MsMs 333033 Specdb::MsMs 2703758 Specdb::MsMs 2703759 Specdb::MsMs 2703760 Specdb::MsMs 3001663 Specdb::MsMs 3001664 Specdb::MsMs 3001665 Specdb::NmrOneD 37582 Specdb::NmrOneD 37583 Specdb::NmrOneD 37584 Specdb::NmrOneD 37585 Specdb::NmrOneD 37586 Specdb::NmrOneD 37587 Specdb::NmrOneD 37588 Specdb::NmrOneD 37589 Specdb::NmrOneD 37590 Specdb::NmrOneD 37591 Specdb::NmrOneD 37592 Specdb::NmrOneD 37593 Specdb::NmrOneD 37594 Specdb::NmrOneD 37595 Specdb::NmrOneD 37596 Specdb::NmrOneD 37597 Specdb::NmrOneD 37598 Specdb::NmrOneD 37599 Specdb::NmrOneD 37600 Specdb::NmrOneD 37601 HMDB39982 #<Reference:0x000055ce3208a088> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442