1.0 2010-04-08 22:12:16 UTC 2019-11-26 03:12:49 UTC FDB016146 2-Isopropyl-5-methylpyrazine Present in boiled potato, coffee aroma, cocoa butter, fish sauce and roasted earth-almond (Cyperus esculentus). 2-Isopropyl-5-methylpyrazine is found in many foods, some of which are cocoa and cocoa products, potato, root vegetables, and coffee and coffee products. 2-Isopropyl-5-methyl-pyrazine 2-Methyl-5-(1-methylethyl)-pyrazine 2-methyl-5-(1-methylethyl)pyrazine 2-Methyl-5-(1-methylethyl)pyrazine, 9CI 2-Methyl-5-isopropylpyrazine 5-Isopropyl-2-methylpyrazine FEMA 3554 Pyrazine, 2-isopropyl-5-methyl- Pyrazine, 2-methyl-5-(1-methylethyl)- C8H12N2 136.1943 136.100048394 2-methyl-5-(propan-2-yl)pyrazine 2-isopropyl-5-methylpyrazine 13925-05-8 CC(C)C1=NC=C(C)N=C1 InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3 PGTQKVQDZHXLOP-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 1.56 ALOGPS logs -0.58 ALOGPS solubility 3.56e+01 g/l ALOGPS logp 1.04 ChemAxon pka_strongest_basic 1.38 ChemAxon iupac 2-methyl-5-(propan-2-yl)pyrazine ChemAxon average_mass 136.1943 ChemAxon mono_mass 136.100048394 ChemAxon smiles CC(C)C1=NC=C(C)N=C1 ChemAxon formula C8H12N2 ChemAxon inchi InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3 ChemAxon inchikey PGTQKVQDZHXLOP-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.13 ChemAxon polarizability 15.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2991 Specdb::CMs 132971 Specdb::CMs 140705 Specdb::EiMs 1638 Specdb::MsIr 7415 Specdb::MsIr 7416 Specdb::NmrOneD 139170 Specdb::NmrOneD 139171 Specdb::NmrOneD 139172 Specdb::NmrOneD 139173 Specdb::NmrOneD 139174 Specdb::NmrOneD 139175 Specdb::NmrOneD 139176 Specdb::NmrOneD 139177 Specdb::NmrOneD 139178 Specdb::NmrOneD 139179 Specdb::NmrOneD 139180 Specdb::NmrOneD 139181 Specdb::NmrOneD 139182 Specdb::NmrOneD 139183 Specdb::NmrOneD 139184 Specdb::NmrOneD 139185 Specdb::NmrOneD 139186 Specdb::NmrOneD 139187 Specdb::NmrOneD 139188 Specdb::NmrOneD 139189 Specdb::MsMs 79191 Specdb::MsMs 79192 Specdb::MsMs 79193 Specdb::MsMs 139731 Specdb::MsMs 139732 Specdb::MsMs 139733 Specdb::MsMs 2294850 Specdb::MsMs 2294851 Specdb::MsMs 2294852 Specdb::MsMs 2640016 Specdb::MsMs 2640017 Specdb::MsMs 2640018 HMDB37151 #<Reference:0x000055ce30d35398> Arabica coffee Type 1 specific Coffea arabica 13443 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Fishes Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Robusta coffee Type 1 specific Coffea canephora 49390 Root vegetables Unknown generic coffee earthy green nutty sweat