1.0 2016-05-19 03:28:17 UTC 2026-08-18 12:20:56 UTC Trimethylenediaminetetraacetic acid SmallMolecule Trimethylenediaminetetraacetic acid (C11H18N2O8) is an organic compound with an average molecular weight of 306.27 g/mol. Trimethylenediaminetetraacetic acid belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from five recorded sources, including drinking water and water supply (specifically drinking water), household cleaning and consumer products such as soap dispensers, and electrical and electronic equipment including antennas, video games, and television systems. The recorded route of exposure for this compound is oral. 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetic acid Glycine, N,N'-1,3-propanediylbis[N-(carboxymethyl)- N,N'-propylene-1,3-diylbis[N-(hydroxycarbonylmethyl)glycine] C11H18N2O8 306.271 306.106315548 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetic acid propanoldiaminetetracetic acid 1939-36-2 OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21) DMQQXDPCRUGSQB-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Tetracarboxylic acids and derivatives Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Trialkylamines Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboxylic acid Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetracarboxylic acid or derivatives Aliphatic acyclic compounds Detected and Not Quantified logp -5.5 logp -1.10 ALOGPS logs -1.67 ALOGPS solubility 6.48e+00 g/l ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic 8.59 ChemAxon iupac 2-({3-[bis(carboxymethyl)amino]propyl}(carboxymethyl)amino)acetic acid ChemAxon average_mass 306.271 ChemAxon mono_mass 306.106315548 ChemAxon smiles OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O ChemAxon formula C11H18N2O8 ChemAxon inchi InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21) ChemAxon inchikey DMQQXDPCRUGSQB-UHFFFAOYSA-N ChemAxon polar_surface_area 155.68 ChemAxon refractivity 67.21 ChemAxon polarizability 28.55 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721ff8bd60> 80296 72537