1.0 2016-05-19 04:16:30 UTC 2026-05-14 17:45:58 UTC Phosphoric acid, mono(2-ethylhexyl) ester, compd. with tert-dodecanamine (1:?) SmallMolecule Phosphoric acid, mono(2-ethylhexyl) ester, compd. with tert-dodecanamine (1:?) is an organic compound with the formula C12H13NO2 and an average molecular weight of 203.24 g/mol. Phosphoric acid, mono(2-ethylhexyl) ester, compd. with tert-dodecanamine (1:?) belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. This compound is associated with five recorded sources. These include building and construction materials such as fencing, and food, food processing and cookware, specifically in food preservation. It is also found in or released from electrical and electronic equipment, including electrodes, television systems, and conductors or conductive bodies characterised by the conductive materials. Regarding its biological activity, the compound has four recorded protein targets. These targets include Beta-2-microglobulin (B2M), the T cell receptor alpha chain constant (TRAC), and the T cell receptor beta constant 1 (TRBC1). Additionally, it targets aromatic-amino-acid aminotransferase (tyrB). 4-(1H-indol-3-yl)butanoic acid Indole-3-butyric acid Indolebutyric acid C12H13NO2 203.2371 203.094628665 4-(1H-indol-3-yl)butanoic acid 3-indolebutyric acid 67763-14-8 OC(=O)CCCC1=CNC2=C1C=CC=C2 InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles 3-alkylindoles Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Aromatic heteropolycyclic compounds indol-3-yl carboxylic acid Detected and Not Quantified logp 2.6 logp 2.38 ALOGPS logs -2.76 ALOGPS solubility 3.56e-01 g/l ALOGPS logp 2.6 ChemAxon pka_strongest_acidic 4.86 ChemAxon iupac 4-(1H-indol-3-yl)butanoic acid ChemAxon average_mass 203.2371 ChemAxon mono_mass 203.094628665 ChemAxon smiles OC(=O)CCCC1=CNC2=C1C=CC=C2 ChemAxon formula C12H13NO2 ChemAxon inchi InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) ChemAxon inchikey JTEDVYBZBROSJT-UHFFFAOYSA-N ChemAxon polar_surface_area 53.09 ChemAxon refractivity 57.65 ChemAxon polarizability 22.03 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7282cc6400> DB02740 8617 8298 BE0001389 BE0003777 BE0003778 BE0003779