1.0 2010-04-08 22:09:22 UTC 2015-07-20 22:36:24 UTC FDB010911 Polycartine B Flavour enhancer Polycartine B C12H16N2 188.2688 188.131348522 1,2,3,4,6,7,8,9-octahydrophenazine 1,2,3,4,6,7,8,9-octahydrophenazine 4006-50-2 C1CCC2=NC3=C(CCCC3)N=C2C1 InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2 JYYRTWNCBVRKMN-UHFFFAOYSA-N belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. Phenazines and derivatives Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazines Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Phenazine Pyrazine logp 3.06 ALOGPS logs -2.48 ALOGPS solubility 6.26e-01 g/l ALOGPS melting_point Mp 112-113° (106-108°) logp 1.94 ChemAxon pka_strongest_basic 1.68 ChemAxon iupac 1,2,3,4,6,7,8,9-octahydrophenazine ChemAxon average_mass 188.2688 ChemAxon mono_mass 188.131348522 ChemAxon smiles C1CCC2=NC3=C(CCCC3)N=C2C1 ChemAxon formula C12H16N2 ChemAxon inchi InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H2 ChemAxon inchikey JYYRTWNCBVRKMN-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 55.01 ChemAxon polarizability 22.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19541 Specdb::CMs 172464 Specdb::MsIr 5799 Specdb::MsIr 5800 Specdb::MsMs 104769 Specdb::MsMs 104770 Specdb::MsMs 104771 Specdb::MsMs 171108 Specdb::MsMs 171109 Specdb::MsMs 171110 Specdb::MsMs 451249 Specdb::MsMs 3060187 Specdb::MsMs 3060188 Specdb::MsMs 3060189 Specdb::MsMs 3109611 Specdb::MsMs 3109612 Specdb::MsMs 3109613 HMDB32926 #<Reference:0x000055ce31e5b6b8>