1.0 2016-05-19 04:09:05 UTC 2026-08-23 05:02:16 UTC Hexanenitrile SmallMolecule Hexanenitrile is an organic nitrogen compound with the chemical formula C6H11N and an average molecular weight of 97.16 g/mol. Hexanenitrile belongs to the organic cyanides, a subclass of organonitrogen compounds within the organic compounds. Industrially, the compound is utilized as a fragrance. The substance is found in or released from six recorded sources. Within household cleaning and consumer products, it is associated with perfumes within detergents and soaps, soap detergents, and cigar cigarettes. It is also present in indoor air as part of air, dust, and atmospheric transport. In the context of food, food processing, and cookware, it is found in fermentation processes for beer. Additionally, hexanenitrile is linked to electrical and electronic equipment, specifically hybrid capacitors. The recorded route of exposure for this compound is inhalation. C6H11N 97.1582 97.089149357 hexanenitrile hexanenitrile 628-73-9 CCCCCC#N InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3 AILKHAQXUAOOFU-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Organic cyanides Nitriles Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Carbonitrile Hydrocarbon derivative Nitrile Organopnictogen compound Aliphatic acyclic compounds Detected and Not Quantified logp 1.7 logp 1.64 ALOGPS logs -0.93 ALOGPS solubility 1.14e+01 g/l ALOGPS logp 1.87 ChemAxon iupac hexanenitrile ChemAxon average_mass 97.1582 ChemAxon mono_mass 97.089149357 ChemAxon smiles CCCCCC#N ChemAxon formula C6H11N ChemAxon inchi InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3 ChemAxon inchikey AILKHAQXUAOOFU-UHFFFAOYSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 30.05 ChemAxon polarizability 12.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baeb64748> 12352 11846