1.0 2016-05-19 03:00:52 UTC 2026-08-22 13:41:11 UTC 1-Nitropropane SmallMolecule 1-Nitropropane is an organic compound with the chemical formula C3H7NO2 and an average molecular weight of 89.09 g/mol. 1-Nitropropane belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. In industrial settings, the compound is utilized as a solvent. The substance is found in or released from 20 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, electric switches, adjustable resistors, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. It is also present in household cleaning and consumer products, including soap detergents, bleaching agents, tobacco pipes, cigar cigarettes, and perfumes within detergents and soaps. Additionally, it is found in drinking water and water supply systems. Regarding food, food processing, and cookware, 1-nitropropane is linked to processing meats, food preservation, and fermentation processes for beer. The recorded route of exposure for this compound is oral. Propane, 1-nitro- C3H7NO2 89.094 89.047678469 1-nitropropane 1-nitropropane 108-03-2 CCCN(=O)=O InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 JSZOAYXJRCEYSX-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 nitroalkane Detected and Not Quantified logp 0.9 logp 0.91 ALOGPS logs -0.86 ALOGPS solubility 1.22e+01 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_acidic 9.36 ChemAxon iupac 1-nitropropane ChemAxon average_mass 89.094 ChemAxon mono_mass 89.047678469 ChemAxon smiles CCCN(=O)=O ChemAxon formula C3H7NO2 ChemAxon inchi InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 ChemAxon inchikey JSZOAYXJRCEYSX-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 21.86 ChemAxon polarizability 8.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd0085aa8> 7903 7615