1.0 2016-06-03 12:38:06 UTC 2026-03-26 23:55:26 UTC 2,5-bis-isocyanatomethyl-bicyclo[2.2.1]heptane SmallMolecule 2,5-bis-isocyanatomethyl-bicyclo[2.2.1]heptane is an organic compound with the chemical formula C11H14N2O2 and an average molecular weight of 206.25 g/mol. 2,5-bis-isocyanatomethyl-bicyclo[2.2.1]heptane belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has been identified in or released from 20 recorded sources. These include aquatic systems and sediments, specifically groundwater, surface water, seawater, and freshwater. It is also found in drinking water and water supply sources, including tap water, bottled water, and desalinated water. Within wastewater, sanitation, and biosolids sectors, it appears in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water coolers and water heaters. In the marine, shipping, and aquaculture sectors, it is present in ballast water and bilge water. It has also been recorded in irrigation water used for agriculture and land management, as well as three other sectors. Recorded routes of exposure for this substance include inhalation, oral ingestion, and touch. PMT C11H14N2O2 206.245 206.105527699 2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane 2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane 135540-95-3 O=C=NCC1CC2CC1CC2CN=C=O InChI=1S/C11H14N2O2/c14-6-12-4-10-2-8-1-9(10)3-11(8)5-13-7-15/h8-11H,1-5H2 LEAAXJONQWQISB-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Bicyclic monoterpenoids Hydrocarbon derivatives Isocyanates Organic oxides Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic homopolycyclic compound Bicyclic monoterpenoid Hydrocarbon derivative Isocyanate Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic homopolycyclic compounds Detected and Not Quantified logp 1.81 ALOGPS logs -3.27 ALOGPS solubility 1.10e-01 g/l ALOGPS logp 1.14 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane ChemAxon average_mass 206.245 ChemAxon mono_mass 206.105527699 ChemAxon smiles O=C=NCC1CC2CC1CC2CN=C=O ChemAxon formula C11H14N2O2 ChemAxon inchi InChI=1S/C11H14N2O2/c14-6-12-4-10-2-8-1-9(10)3-11(8)5-13-7-15/h8-11H,1-5H2 ChemAxon inchikey LEAAXJONQWQISB-UHFFFAOYSA-N ChemAxon polar_surface_area 58.86 ChemAxon refractivity 53.25 ChemAxon polarizability 21.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baee4b740> 11701254 9875979