<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:37:17 UTC</creation_date>
  <update_date>2026-08-26 00:21:59 UTC</update_date>
  <accession/>
  <common_name>Methanaminium, N,N,N-trimethyl-, hypochlorite (1:1)</common_name>
  <class>SmallMolecule</class>
  <description>Methanaminium, N,N,N-trimethyl-, hypochlorite (1:1) is a compound with the formula ClO and an average molecular weight of 51.45 g/mol. Methanaminium, N,N,N-trimethyl-, hypochlorite (1:1) belongs to the non-metal hypochlorites, a subclass of non-metal oxoanionic compounds within the inorganic compounds.

This substance is found in or released from 15 recorded sources. Within household cleaning and consumer products, it is used as a bleaching agent. In the healthcare, pharmaceuticals, and veterinary sectors, it is utilized in antiseptics and disinfectants. It is also associated with building and construction floors, as well as electrical and electronic equipment, including contacts, electric switches, discharge lamps, and emergency protective devices. Additionally, it is linked to food, food processing, and cookware, specifically regarding the preparation of malt, wort, and vinegar, as well as cellar tools and fermentation processes for beer, among three other sources. Recorded routes of exposure include topical, buccal, and extracorporeal.

Regarding health effects, the compound is associated with inflammation (PMC12841722). Furthermore, it is linked to an increase in arthritis (PMC8977348) and an increase in atherosclerosis (PMC8977348).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Hypochlorite</synonym>
  </synonyms>
  <chemical_formula>ClO</chemical_formula>
  <average_molecular_weight>51.452</average_molecular_weight>
  <monisotopic_moleculate_weight>50.963767329</monisotopic_moleculate_weight>
  <iupac_name>hypochlorous acid</iupac_name>
  <traditional_iupac>hypochlorous acid</traditional_iupac>
  <cas_registry_number>736179-59-2</cas_registry_number>
  <smiles>[O-]Cl</smiles>
  <inchi>InChI=1S/ClO/c1-2/q-1</inchi>
  <inchikey>WQYVRQLZKVEZGA-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal hypochlorites</sub_class>
    <direct_parent>Non-metal hypochlorites</direct_parent>
    <alternate_parents/>
    <substituents>
      <substituent>Non-metal hypochlorite</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>an inorganic compound</descriptor>
      <descriptor>chlorine oxoacid</descriptor>
      <descriptor>reactive oxygen species</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Hypochlorite Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144578</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.32</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.37</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.99</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.12e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>7.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-5.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hypochlorous acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>51.452</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>50.963767329</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[O-]Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>ClO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/ClO/c1-2/q-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WQYVRQLZKVEZGA-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>20.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>8.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>3.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721edc24f8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11123</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>61739</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
  </targets>
</compound>
