1.0 2010-04-08 22:05:46 UTC 2025-11-18 22:51:39 UTC FDB003380 1-Butylamine 1-Butylamine, also known as 1-aminobutan or N-C4H9NH2, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. 1-Butylamine is a very strong basic compound (based on its pKa). Butylamine is a colourless liquid which acquires a yellow colour when exposed to air during storage. 1-Butylamine is an ammonia and fishy tasting compound. Outside of the human body, 1-Butylamine has been detected, but not quantified in several different foods, such as cocoa and cocoa products, brassicas, fishes, garden tomato, and milk and milk products. This could make 1-butylamine a potential biomarker for the consumption of these foods. It is one of the four isomeric amines of butane. It is known to have the fishy, ammonia-like odor common to amines. Also found in mulberry leaves, kale, swede, tomato, wheat bread, cheeses, caviar, raw fatty fish, cooked chicken or beef, beer, cocoa, and other foodstuffs. 1-Aminobutan 1-Aminobutane 1-Butanamine 1-Butanamine, 9CI Aminobutane Butanamine Butylamine FEMA 3130 Mono-N-butylamine Monobutylamine N-Butylamin N-Butylamine N-C4H9NH2 Norralamine Norvalamine C4H11N 73.1368 73.089149357 butan-1-amine butylamine 109-73-9 CCCCN InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 HQABUPZFAYXKJW-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Monoalkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aliphatic acyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine a small molecule primary aliphatic amine Liquid logp 0.85 ALOGPS logs 0.04 ALOGPS solubility 8.07e+01 g/l ALOGPS melting_point -50 oC logp 0.7 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac butan-1-amine ChemAxon average_mass 73.1368 ChemAxon mono_mass 73.089149357 ChemAxon smiles CCCCN ChemAxon formula C4H11N ChemAxon inchi InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 ChemAxon inchikey HQABUPZFAYXKJW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 23.79 ChemAxon polarizability 9.66 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1887 Specdb::CMs 24686 Specdb::CMs 26797 Specdb::CMs 26965 Specdb::CMs 29403 Specdb::CMs 30643 Specdb::CMs 100716 Specdb::CMs 100717 Specdb::CMs 100718 Specdb::CMs 100719 Specdb::CMs 136945 Specdb::CMs 144679 Specdb::NmrOneD 3788 Specdb::NmrOneD 4047 Specdb::MsMs 9146 Specdb::MsMs 9147 Specdb::MsMs 9148 Specdb::MsMs 15818 Specdb::MsMs 15819 Specdb::MsMs 15820 Specdb::MsMs 452293 Specdb::MsMs 2253565 Specdb::MsMs 2799472 Specdb::MsMs 2799473 Specdb::MsMs 2799474 Specdb::MsMs 2882477 Specdb::MsMs 2882478 Specdb::MsMs 2882479 Specdb::MsIr 4353 Specdb::MsIr 4354 Specdb::MsIr 4355 HMDB31321 43799 LYT #<Reference:0x000055ce2d04fde8> Alcoholic beverages Unknown generic Beer Type 2 specific 0.035 0.035 0.035 mg/100 g Brassicas Unknown generic 3705 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Fishes Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Milk and milk products Unknown generic Red wine Type 2 0.01 0.01 0.01 mg/100 g Root vegetables Unknown generic Soy bean Type 1 specific Glycine max 3847 White wine Type 2 0.0 0.0 0.0 mg/100 g ammonia fishy