1.0 2016-05-22 03:29:11 UTC 2026-08-22 19:14:15 UTC 1-Nitrobutane SmallMolecule 1-Nitrobutane is an organic compound with the formula C4H9NO2 and an average molecular weight of 103.12 g/mol. 1-Nitrobutane belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. This substance is associated with four recorded sources of release or occurrence. These include electrical and electronic equipment, specifically power cables, hybrid capacitors, and adjustable resistors. Additionally, it is found in household cleaning and consumer products, specifically perfumes within soaps and detergents. C4H9NO2 103.121 103.063328534 1-nitrobutane 1-nitrobutane 627-05-4 CCCCN(=O)=O InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3 NALZTFARIYUCBY-UHFFFAOYSA-N Organic compounds Organic 1,3-dipolar compounds Allyl-type 1,3-dipolar organic compounds Organic nitro compounds C-nitro compounds Hydrocarbon derivatives Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound C-nitro compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds a small molecule Detected and Not Quantified logp 1.5 logp 1.49 ALOGPS logs -1.26 ALOGPS solubility 5.69e+00 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 9.29 ChemAxon iupac 1-nitrobutane ChemAxon average_mass 103.121 ChemAxon mono_mass 103.063328534 ChemAxon smiles CCCCN(=O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3 ChemAxon inchikey NALZTFARIYUCBY-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 26.46 ChemAxon polarizability 10.46 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727e8ec090> 12302 11799