1.0 2011-09-21 01:54:47 UTC 2015-07-21 06:59:42 UTC FDB029372 Propionylcholine Propionylcholine (PCh) is a choline derivative, which can be hydrolyzed to generate propionic acid and choline (Ch), a precursor of acetylcholine (ACh), an important neurotransmitter, synthesis. Considerable interest is dealing with the developing biosensors for Ch and acetylcholine detections by using cholinesterase PCh can be used for surface modification for fabrication of biosensors. [HMDB] PCh C8H18NO2 160.234 160.133753825 trimethyl[2-(propanoyloxy)ethyl]azanium β-methylacetylcholine CCC(=O)OCC[N+](C)(C)C InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1 VVQZRZCFJJZEKN-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 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 Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Tetraalkylammonium salt Solid logp -2.74 ALOGPS logs -3.41 ALOGPS solubility 7.60e-02 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_basic -7 ChemAxon iupac trimethyl[2-(propanoyloxy)ethyl]azanium ChemAxon average_mass 160.234 ChemAxon mono_mass 160.133753825 ChemAxon smiles CCC(=O)OCC[N+](C)(C)C ChemAxon formula C8H18NO2 ChemAxon inchi InChI=1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1 ChemAxon inchikey VVQZRZCFJJZEKN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.97 ChemAxon polarizability 18.71 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 131139 Specdb::CMs 138873 Specdb::NmrOneD 152210 Specdb::NmrOneD 152211 Specdb::NmrOneD 152212 Specdb::NmrOneD 152213 Specdb::NmrOneD 152214 Specdb::NmrOneD 152215 Specdb::NmrOneD 152216 Specdb::NmrOneD 152217 Specdb::NmrOneD 152218 Specdb::NmrOneD 152219 Specdb::NmrOneD 152220 Specdb::NmrOneD 152221 Specdb::NmrOneD 152222 Specdb::NmrOneD 152223 Specdb::NmrOneD 152224 Specdb::NmrOneD 152225 Specdb::NmrOneD 152226 Specdb::NmrOneD 152227 Specdb::NmrOneD 152228 Specdb::NmrOneD 152229 HMDB13305