1.02010-04-08 22:14:22 UTC2015-07-21 06:36:02 UTCFDB0194543-HexylpyridineFound in orange oil. Perfumery and flavouring ingredientPyridine, 3-hexylC11H17N163.2594163.1360995493-hexylpyridine3-hexylpyridine6311-92-8CCCCCCC1=CN=CC=C1InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3LWEQIZSFZFUWIE-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.Pyridines and derivativesOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundPyridinelogp4.22logs-2.87solubility2.19e-01 g/llogp3.49pka_strongest_basic5.56iupac3-hexylpyridineaverage_mass163.2594mono_mass163.136099549smilesCCCCCCC1=CN=CC=C1formulaC11H17NinchiInChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3inchikeyLWEQIZSFZFUWIE-UHFFFAOYSA-Npolar_surface_area12.89refractivity51.95polarizability20.5rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs24929Specdb::CMs167846Specdb::MsIr8350Specdb::MsIr8351Specdb::MsMs53394Specdb::MsMs53395Specdb::MsMs53396Specdb::MsMs125058Specdb::MsMs125059Specdb::MsMs125060Specdb::MsMs2808254Specdb::MsMs2808255Specdb::MsMs2808256Specdb::MsMs2897964Specdb::MsMs2897965Specdb::MsMs2897966HMDB39804#<Reference:0x000055567600ca40>