<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:06:52 UTC</creation_date>
  <update_date>2026-05-14 19:28:10 UTC</update_date>
  <accession/>
  <common_name>Mica</common_name>
  <class>SmallMolecule</class>
  <description>Mica belongs to the phthalocyanines, a subclass of tetrapyrroles and derivatives within the organic compounds. With an average molecular weight of 514.55 g/mol, Mica is a heavy molecule. This organoheterocyclic compound with the formula C32H18N8 serves various industrial roles, including use as a dye, opacifer, filler, anti-caking agent, pigment, surface modifier, and processing aids not otherwise specified. It is also utilized industrially as a fragrance and as a degradant or impurity, while acting as a biological antioxidant (PMC13163680).

Mica is found in or released from nine recorded sources. These include electrical and electronic equipment, specifically antennas, gas filled discharge tubes with solid cathode, sparking plugs, and superconductive or hyperconductive conductors cables or transmission lines. It is also associated with building and construction materials such as ladders, tents, or canopies, as well as household cleaning and consumer products including pipe accessories and tobacco pipes. Additionally, it is found in drinking water and water supply. The recorded exposure route for this compound is oral. Regarding health effects, Mica has been detected in the blood of individuals with thrombosis (PMC10531672).</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>29H,31H-phthalocyanine</synonym>
    <synonym>Cobaltate(4-), [29H,31H-phthalocyanine-2,9,16,23-tetrasulfonato(6-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, tetrahydrogen, (SP-4-1)-</synonym>
    <synonym>Copper, [N,N',N''-tris[3-(dimethylamino)propyl]-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-</synonym>
    <synonym>Copper, [N,N,N',N',N'',N''-hexaethyl-29H,31H-phthalocyanine-C,C,C-trimethanaminato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-</synonym>
    <synonym>Phthalocyanine</synonym>
  </synonyms>
  <chemical_formula>C32H18N8</chemical_formula>
  <average_molecular_weight>514.552</average_molecular_weight>
  <monisotopic_moleculate_weight>514.165442612</monisotopic_moleculate_weight>
  <iupac_name>2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene</iupac_name>
  <traditional_iupac>29H, 31H-phthalocyanine</traditional_iupac>
  <cas_registry_number>12001-26-2</cas_registry_number>
  <smiles>N1C2=C3C=CC=CC3=C1\N=C1/N=C(/N=C3\N=C(NC4=N\C(=N/2)C2=CC=CC=C42)C2=CC=CC=C32)C2=CC=CC=C12</smiles>
  <inchi>InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)</inchi>
  <inchikey>IEQIEDJGQAUEQZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Tetrapyrroles and derivatives</class>
    <sub_class>Phthalocyanines</sub_class>
    <direct_parent>Phthalocyanines</direct_parent>
    <alternate_parents>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Isoindoles</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Pyrroles</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Isoindole</substituent>
      <substituent>Isoindole or derivatives</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Phthalocyanine skeleton</substituent>
      <substituent>Pyrrole</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>phthalocyanines</descriptor>
      <descriptor>tetrapyrrole fundamental parent</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>6.49</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.79</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.69</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.05e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>6.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>5.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>2.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>514.552</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>514.165442612</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>N1C2=C3C=CC=CC3=C1\N=C1/N=C(/N=C3\N=C(NC4=N\C(=N/2)C2=CC=CC=C42)C2=CC=CC=C32)C2=CC=CC=C12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C32H18N8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IEQIEDJGQAUEQZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>108.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>155.73</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>57.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</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:0x00007f3bbfde7b30&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB12983</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>86280045</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>21171875</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
