1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:46 UTC FDB019677 3,5-Dimethyl-2-propylpyrazine Volatile constituent of roasted coconut, cooked shrimp, roast beef and cocoa. 3,5-Dimethyl-2-propylpyrazine is found in many foods, some of which are nuts, crustaceans, animal foods, and cocoa and cocoa products. 2-Propyl-3,5(3,6)-dimethylpyrazine 2,6-Dimethyl-3-propyl-pyrazine 2,6-Dimethyl-3-propylpyrazine 2,6-Dimethyl-3-pyropylpyrazine 3,5-Dimethyl-2-propyl-pyrazine Pyrazine, 2,6-dimethyl-3-propyl- Pyrazine, 3,5-dimethyl-2-propyl- C9H14N2 150.2209 150.115698458 3,5-dimethyl-2-propylpyrazine 3,5-dimethyl-2-propylpyrazine 32350-16-6 CCCC1=C(C)N=C(C)C=N1 InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3 UTRAUCDSVCDVIW-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 2.06 ALOGPS logs -1.31 ALOGPS solubility 7.34e+00 g/l ALOGPS logp 1.08 ChemAxon pka_strongest_basic 2.01 ChemAxon iupac 3,5-dimethyl-2-propylpyrazine ChemAxon average_mass 150.2209 ChemAxon mono_mass 150.115698458 ChemAxon smiles CCCC1=C(C)N=C(C)C=N1 ChemAxon formula C9H14N2 ChemAxon inchi InChI=1S/C9H14N2/c1-4-5-9-8(3)11-7(2)6-10-9/h6H,4-5H2,1-3H3 ChemAxon inchikey UTRAUCDSVCDVIW-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 44.75 ChemAxon polarizability 17.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12587 Specdb::CMs 159409 Specdb::MsIr 8446 Specdb::MsIr 8447 Specdb::MsMs 13157 Specdb::MsMs 13158 Specdb::MsMs 13159 Specdb::MsMs 19829 Specdb::MsMs 19830 Specdb::MsMs 19831 Specdb::MsMs 2396376 Specdb::MsMs 2396377 Specdb::MsMs 2396378 Specdb::MsMs 2541923 Specdb::MsMs 2541924 Specdb::MsMs 2541925 Specdb::NmrOneD 37842 Specdb::NmrOneD 37843 Specdb::NmrOneD 37844 Specdb::NmrOneD 37845 Specdb::NmrOneD 37846 Specdb::NmrOneD 37847 Specdb::NmrOneD 37848 Specdb::NmrOneD 37849 Specdb::NmrOneD 37850 Specdb::NmrOneD 37851 Specdb::NmrOneD 37852 Specdb::NmrOneD 37853 Specdb::NmrOneD 37854 Specdb::NmrOneD 37855 Specdb::NmrOneD 37856 Specdb::NmrOneD 37857 Specdb::NmrOneD 37858 Specdb::NmrOneD 37859 Specdb::NmrOneD 37860 Specdb::NmrOneD 37861 HMDB39995 #<Reference:0x000055ce31c16d80> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Crustaceans Unknown generic 6657 Nuts Unknown generic burnt hazelnut