1.0 2011-09-21 01:54:18 UTC 2015-07-21 06:59:41 UTC FDB029342 Butyrylcholine Butyrylcholine is a synthetic compound and does not occur in the body naturally. It is used as a tool to distinguish between acetyl- and butyrylcholinesterase.; Butyrylcholine is an acetylcholine-like molecule, with activation of some of the same receptors as acetylcholine. It is hydrolysed by acetylcholinesterase and butyrylcholinesterase (also known as pseudocholinesterase), with butyrylcholinesterase being more efficient than acetylcholinesterase. [HMDB] (2-Butyryloxy-ethyl)-trimethyl-ammonium N,N,N-Trimethyl-2-(1-oxobutoxy)ethanaminium C9H20NO2 174.2606 174.149403889 [2-(butanoyloxy)ethyl]trimethylazanium butyrylcholine 3922-86-9 CCCC(=O)OCC[N+](C)(C)C InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 YRIBGSCJIMXMPJ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Acyl cholines Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl choline Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Tetraalkylammonium salt a small molecule Solid logp -2.52 ALOGPS logs -3.80 ALOGPS solubility 3.31e-02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_basic -7 ChemAxon iupac [2-(butanoyloxy)ethyl]trimethylazanium ChemAxon average_mass 174.2606 ChemAxon mono_mass 174.149403889 ChemAxon smiles CCCC(=O)OCC[N+](C)(C)C ChemAxon formula C9H20NO2 ChemAxon inchi InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1 ChemAxon inchikey YRIBGSCJIMXMPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.57 ChemAxon polarizability 20.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 136826 Specdb::CMs 144560 Specdb::NmrOneD 99278 Specdb::NmrOneD 99279 Specdb::NmrOneD 99280 Specdb::NmrOneD 99281 Specdb::NmrOneD 99282 Specdb::NmrOneD 99283 Specdb::NmrOneD 99284 Specdb::NmrOneD 99285 Specdb::NmrOneD 99286 Specdb::NmrOneD 99287 Specdb::NmrOneD 99288 Specdb::NmrOneD 99289 Specdb::NmrOneD 99290 Specdb::NmrOneD 99291 Specdb::NmrOneD 99292 Specdb::NmrOneD 99293 Specdb::NmrOneD 99294 Specdb::NmrOneD 99295 Specdb::NmrOneD 99296 Specdb::NmrOneD 99297 HMDB13223