<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:05:06 UTC</creation_date>
  <update_date>2026-08-19 21:32:46 UTC</update_date>
  <accession/>
  <common_name>Hydrated silica</common_name>
  <class>SmallMolecule</class>
  <description>Hydrated silica belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the formula C17H25N and an average molecular weight of 243.39 g/mol. It is classified under the superclass of organic nitrogen compounds and the class of organonitrogen compounds.

Industrially, hydrated silica serves a wide variety of roles and uses. It is employed as a filler, abrasive, absorbent, opacifer, and flow promoter. Additionally, it functions as a deodorizer, diluent, dispersing agent, viscosity modifier, thickening agent, and fragrance. It is also used as a surface modifier, an anti-adhesive/cohesive agent, and as a crystal growth modifier acting as a nucleating agent. It is further utilized as a processing aid not otherwise specified.

The compound is found in or released from 28 recorded sources. These include electrical and electronic equipment, such as amplifiers, antennas, auxiliary devices, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 10 others. In household cleaning and consumer products, it is present in bleaching agents, cigar cigarettes, perfumes within detergents and soaps, soap detergents, and tobacco pipes, as well as one other source. Within building and construction, it is found in ceilings, floors, and roofs. It is also associated with food, food processing, and cookware, specifically in food preservation, processing meats, and fermentation processes for beer. Furthermore, it is found in household items such as key rings. Regarding biological activity, hydrated silica has five recorded protein targets, acting as an antagonist/inhibitor of Sigma non-opioid intracellular receptor 1 (SIGMAR1), Glutamate receptor ionotropic NMDA 1 (GRIN1), Glutamate receptor ionotropic NMDA 2B (GRIN2B), Glutamate receptor ionotropic NMDA 3A (GRIN3A), and one other protein.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms>
    <synonym>phencyclidine</synonym>
    <synonym>Silica gel, crystal-free</synonym>
  </synonyms>
  <chemical_formula>C17H25N</chemical_formula>
  <average_molecular_weight>243.3871</average_molecular_weight>
  <monisotopic_moleculate_weight>243.198699805</monisotopic_moleculate_weight>
  <iupac_name>1-(1-phenylcyclohexyl)piperidine</iupac_name>
  <traditional_iupac>selma</traditional_iupac>
  <cas_registry_number>112926-00-8</cas_registry_number>
  <smiles>C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2</inchi>
  <inchikey>JTJMJGYZQZDUJJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <direct_parent>Aralkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzene and substituted derivatives</alternative_parent>
      <alternative_parent>Cyclohexylamines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Piperidines</alternative_parent>
      <alternative_parent>Trialkylamines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aralkylamine</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Cyclohexylamine</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Piperidine</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
      <substituent>Tertiary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>benzenes</descriptor>
      <descriptor>piperidines</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.49</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.31</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.87</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.25e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>10.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1-(1-phenylcyclohexyl)piperidine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>243.3871</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>243.198699805</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C17H25N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JTJMJGYZQZDUJJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>3.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>77.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.66</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</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:0x00007f7225f56740&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB03575</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>6468</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6224</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
