1.0 2016-06-03 12:15:22 UTC 2026-08-18 18:37:41 UTC 4-chloro-N-cyclopentylbenzylamine SmallMolecule 4-chloro-N-cyclopentylbenzylamine belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H16ClN and an average molecular weight of 209.72 g/mol. The compound has been identified in or released from 20 recorded sources across various sectors. Within aquatic systems and sediments, it is found in freshwater, seawater, groundwater, and surface water. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sector of wastewater, sanitation, and biosolids, it is recorded in wastewater, unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Other recorded sources include pesticides and irrigation water from agriculture and land management, as well as water heaters and water coolers from appliances, HVAC, and refrigerants. Additionally, it is found in bilge water and ballast water within the marine, shipping, and aquaculture sector, along with two other sectors. Recorded exposure routes for 4-chloro-N-cyclopentylbenzylamine include oral, inhalation, and touch. Pesticide PMT C12H16ClN 209.72 209.0971272 N-[(4-chlorophenyl)methyl]cyclopentanamine N-[(4-chlorophenyl)methyl]cyclopentanamine 66063-15-8 ClC1=CC=C(CNC2CCCC2)C=C1 InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2 XIXHUNCZQIRQOG-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Phenylmethylamines Aralkylamines Aryl chlorides Benzylamines Chlorobenzenes Dialkylamines Hydrocarbon derivatives Organochlorides Organopnictogen compounds Amine Aralkylamine Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzylamine Chlorobenzene Halobenzene Hydrocarbon derivative Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Phenylmethylamine Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.2 logp 3.54 ALOGPS logs -4.27 ALOGPS solubility 1.14e-02 g/l ALOGPS logp 3.49 ChemAxon pka_strongest_basic 9.61 ChemAxon iupac N-[(4-chlorophenyl)methyl]cyclopentanamine ChemAxon average_mass 209.72 ChemAxon mono_mass 209.0971272 ChemAxon smiles ClC1=CC=C(CNC2CCCC2)C=C1 ChemAxon formula C12H16ClN ChemAxon inchi InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2 ChemAxon inchikey XIXHUNCZQIRQOG-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 60.52 ChemAxon polarizability 23.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f728876e2e0> 834083 728434