2.0 2015-09-08 17:48:51 -0600 2015-09-08 17:48:51 -0600 ECMDB24060 M2MDB006177 4-Trimethylammoniobutanoic acid 4-Trimethylammoniobutanoate C7H16NO2 146.2074 146.118103761 (3-carboxypropyl)trimethylazanium 4-trimethylaminobutyrate C[N+](C)(C)CCCC(O)=O InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 JHPNVNIEXXLNTR-UHFFFAOYSA-O logp -3.01 ALOGPS logs -2.74 ALOGPS solubility 3.33e-01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 4.46 ChemAxon iupac (3-carboxypropyl)trimethylazanium ChemAxon average_mass 146.2074 ChemAxon mono_mass 146.118103761 ChemAxon smiles C[N+](C)(C)CCCC(O)=O ChemAxon formula C7H16NO2 ChemAxon inchi InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 ChemAxon inchikey JHPNVNIEXXLNTR-UHFFFAOYSA-O ChemAxon polar_surface_area 37.3 ChemAxon refractivity 51.44 ChemAxon polarizability 16.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 11130 Specdb::CMs 37951 Specdb::MsMs 290545 Specdb::MsMs 290546 Specdb::MsMs 290547