1.0 2020-03-10 17:01:13 UTC 2020-04-22 18:56:04 UTC BMDB0096101 BMDB96101 1-Nitrohexane Nitrohexane C6H14NO2 132.1809 132.102453697 hexyl(hydroxy)oxoazanium hexyl(hydroxy)oxoazanium 646-14-0 CCCCCC[N+](O)=O InChI=1S/C6H14NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/q+1 RPBWECFHDHMPJN-UHFFFAOYSA-N belongs to the class of organic compounds known as organic nitro compounds. Organic nitro compounds are compounds having the nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied). Organic compounds Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds Organic nitro compounds Hydrocarbon derivatives N-organohydroxylamines Organic cations Organic oxides Organic oxoazanium compounds Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative N-organohydroxylamine Organic cation Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound Aliphatic acyclic compounds logp 0.37 ALOGPS logs -2.24 ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 9.45 ChemAxon iupac hexyl(hydroxy)oxoazanium ChemAxon average_mass 132.1809 ChemAxon mono_mass 132.102453697 ChemAxon smiles CCCCCC[N+](O)=O ChemAxon formula C6H14NO2 ChemAxon inchi InChI=1S/C6H14NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/q+1 ChemAxon inchikey RPBWECFHDHMPJN-UHFFFAOYSA-N ChemAxon polar_surface_area 40.31 ChemAxon refractivity 35.78 ChemAxon polarizability 14.94 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13071 Specdb::CMs 158650 Specdb::MsMs 294718 Specdb::MsMs 294719 Specdb::MsMs 294720 Specdb::MsMs 2934770 Specdb::MsMs 2934771 Specdb::MsMs 2934772 Specdb::NmrOneD 99958 Specdb::NmrOneD 99959 Specdb::NmrOneD 99960 Specdb::NmrOneD 99961 Specdb::NmrOneD 99962 Specdb::NmrOneD 99963 Specdb::NmrOneD 99964 Specdb::NmrOneD 99965 Specdb::NmrOneD 99966 Specdb::NmrOneD 99967 Specdb::NmrOneD 99968 Specdb::NmrOneD 99969 Specdb::NmrOneD 99970 Specdb::NmrOneD 99971 Specdb::NmrOneD 99972 Specdb::NmrOneD 99973 Specdb::NmrOneD 99974 Specdb::NmrOneD 99975 Specdb::NmrOneD 99976 Specdb::NmrOneD 99977 FDB111649 58164016 89185