1.0 2010-04-08 22:14:31 UTC 2019-11-26 03:17:47 UTC FDB019683 Trimethylpropylpyrazine Maillard product. Constituent of cocoa volatiles. Trimethylpropylpyrazine is found in cocoa and cocoa products. 2-propyl-3,5,6-trimethylpyrazine 2,3,5-Trimethyl-6-propylpyrazine C10H16N2 164.2474 164.131348522 2,3,5-trimethyl-6-propylpyrazine 2,3,5-trimethyl-6-propylpyrazine 92233-82-4 CCCC1=C(C)N=C(C)C(C)=N1 InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3 GEPYSCIASYXPCY-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 2.45 ALOGPS logs -1.90 ALOGPS solubility 2.07e+00 g/l ALOGPS logp 1.21 ChemAxon pka_strongest_basic 2.07 ChemAxon iupac 2,3,5-trimethyl-6-propylpyrazine ChemAxon average_mass 164.2474 ChemAxon mono_mass 164.131348522 ChemAxon smiles CCCC1=C(C)N=C(C)C(C)=N1 ChemAxon formula C10H16N2 ChemAxon inchi InChI=1S/C10H16N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3 ChemAxon inchikey GEPYSCIASYXPCY-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 49.34 ChemAxon polarizability 20.04 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22666 Specdb::CMs 174857 Specdb::MsMs 316327 Specdb::MsMs 316328 Specdb::MsMs 316329 Specdb::MsMs 362548 Specdb::MsMs 362549 Specdb::MsMs 362550 Specdb::MsMs 2468056 Specdb::MsMs 2468057 Specdb::MsMs 2468058 Specdb::MsMs 2497628 Specdb::MsMs 2497629 Specdb::MsMs 2497630 Specdb::MsIr 8458 Specdb::MsIr 8459 Specdb::NmrOneD 37962 Specdb::NmrOneD 37963 Specdb::NmrOneD 37964 Specdb::NmrOneD 37965 Specdb::NmrOneD 37966 Specdb::NmrOneD 37967 Specdb::NmrOneD 37968 Specdb::NmrOneD 37969 Specdb::NmrOneD 37970 Specdb::NmrOneD 37971 Specdb::NmrOneD 37972 Specdb::NmrOneD 37973 Specdb::NmrOneD 37974 Specdb::NmrOneD 37975 Specdb::NmrOneD 37976 Specdb::NmrOneD 37977 Specdb::NmrOneD 37978 Specdb::NmrOneD 37979 Specdb::NmrOneD 37980 Specdb::NmrOneD 37981 HMDB40001 #<Reference:0x000055ce325c0f70> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641