1.0 2016-05-19 02:56:49 UTC 2026-05-14 19:41:58 UTC N,N'-Diphenylguanidine SmallMolecule N,N'-Diphenylguanidine is an organic compound with the formula C13H13N3 and an average molecular weight of 211.27 g/mol. N,N'-Diphenylguanidine belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. In industrial applications, the compound serves as a catalyst and a plasticizer. The compound has been identified in 51 recorded sources across various sectors. Within electrical and electronic equipment, it is found in amplifiers, antennas, adjustable resistors, coils, auxiliary devices, and 17 additional items. It is present in drinking water and water supply sources, including bottled water, tap water, desalinated water, and drinking water. It is also detected in aquatic systems and sediments, specifically in seawater, freshwater, surface water, and groundwater. In the building and construction sector, it is found in tents or canopies, waterproofing sprays, and sunshades awnings or outside screens. Additionally, the compound is recorded in wastewater, sanitation, and biosolids, including wastewater, unspecified, mine wastewater, industrial wastewater, and wastewater treatment effluent. Household cleaning and consumer products containing the compound include soap detergents, perfumes within detergents and soaps, bleaching agents, and non electric simulated smoking devices. It has been found in 6 more sectors. Recorded exposure routes for N,N'-Diphenylguanidine include touch, oral, and inhalation. PMT 1,3-Diphenylguanidine 1,3-diphenylguanidine Guanidine, 1,3-diphenyl- C13H13N3 211.268 211.110947431 N,N'-diphenylguanidine N,N'-diphenylguanidine 102-06-7 N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16) OWRCNXZUPFZXOS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives Guanidines Hydrocarbon derivatives Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aromatic homomonocyclic compound Guanidine Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified Diphenylguanidine Drug Metabolism SMP0130671 Diphenylguanidine Drug Metabolism Action Pathway SMP0145119 logp 3.13 logp 2.67 ALOGPS logs -2.75 ALOGPS solubility 3.77e-01 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_basic 9.38 ChemAxon iupac N,N'-diphenylguanidine ChemAxon average_mass 211.268 ChemAxon mono_mass 211.110947431 ChemAxon smiles N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 ChemAxon formula C13H13N3 ChemAxon inchi InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16) ChemAxon inchikey OWRCNXZUPFZXOS-UHFFFAOYSA-N ChemAxon polar_surface_area 47.91 ChemAxon refractivity 78.52 ChemAxon polarizability 22.09 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227dc2580> DB14191 7594 7313