<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:05:43 UTC</creation_date>
  <update_date>2025-11-18 22:49:21 UTC</update_date>
  <accession>FDB003249</accession>
  <name>1,2-Ethanediamine</name>
  <description>Microbial agent used in cane-sugar and beet-sugar mills.</description>
  <synonyms>
    <synonym>&amp;beta;-aminoethylamine</synonym>
    <synonym>1,2-Diamino-ethaan</synonym>
    <synonym>1,2-Diamino-ethano</synonym>
    <synonym>1,2-Diaminoaethan</synonym>
    <synonym>1,2-Diaminoethane</synonym>
    <synonym>1,2-Ethanediamine, homopolymer</synonym>
    <synonym>1,2-Ethanediamine, hydrochloride (1:1)</synonym>
    <synonym>1,2-Ethanediamine, monohydrochloride</synonym>
    <synonym>1,2-Ethylenediamine</synonym>
    <synonym>2-aminoethylammonium Chloride</synonym>
    <synonym>333-18-6 (di-hydrochloride)</synonym>
    <synonym>5700-49-2 (di-hydriodide)</synonym>
    <synonym>624-59-9 (di-hydrobromide)</synonym>
    <synonym>Aethaldiamin</synonym>
    <synonym>Aethylenediamin</synonym>
    <synonym>Algicode 106L</synonym>
    <synonym>Amerstat 274</synonym>
    <synonym>Beta-aminoethylamine</synonym>
    <synonym>Diaminoethane</synonym>
    <synonym>Dimethylenediamine</synonym>
    <synonym>EN</synonym>
    <synonym>Ethane-1,2-diamine</synonym>
    <synonym>ETHANE,1,2-DIAMINO</synonym>
    <synonym>Ethyleendiamine</synonym>
    <synonym>Ethylendiamine</synonym>
    <synonym>Ethylene diamine</synonym>
    <synonym>Ethylene-diamine</synonym>
    <synonym>Ethylenediamine</synonym>
    <synonym>Ethylenediamine (USP/JP15)</synonym>
    <synonym>Ethylenediamine [jan]</synonym>
    <synonym>Ethylenediamine [UN1604] [Corrosive]</synonym>
    <synonym>Ethylenediamine anhydrous</synonym>
    <synonym>Ethylenediamine, 8CI</synonym>
    <synonym>Ethylenediamine, piperazine polymer</synonym>
    <synonym>H2NCH2CH2NH2</synonym>
  </synonyms>
  <chemical_formula>C2H8N2</chemical_formula>
  <average_molecular_weight>60.0983</average_molecular_weight>
  <monisotopic_moleculate_weight>60.068748266</monisotopic_moleculate_weight>
  <iupac_name>ethane-1,2-diamine</iupac_name>
  <traditional_iupac>ethylenediamine</traditional_iupac>
  <cas_registry_number>107-15-3</cas_registry_number>
  <smiles>NCCN</smiles>
  <inchi>InChI=1S/C2H8N2/c3-1-2-4/h1-4H2</inchi>
  <inchikey>PIICEJLVQHRZGT-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.</description>
    <direct_parent>Monoalkylamines</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary aliphatic amine</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>alkane-alpha,omega-diamine</external_descriptor>
      <external_descriptor>an amine</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Liquid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.77</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.97</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.60e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 11°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>9.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>ethane-1,2-diamine</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>60.0983</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>60.068748266</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>NCCN</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C2H8N2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C2H8N2/c3-1-2-4/h1-4H2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>PIICEJLVQHRZGT-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>52.04</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>17.87</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>7.08</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>2</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>367</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>4217</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>4218</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>4219</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163009</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163010</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163011</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163012</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163013</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163014</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163015</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163016</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163017</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163018</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163019</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163020</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163021</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163022</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163023</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163024</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163025</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163026</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163027</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>163028</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91569</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91570</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91571</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154983</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154984</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>154985</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2298687</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2298688</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2298689</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2637499</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2637500</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2637501</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>12144</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>27665</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>100651</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>150575</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB31225</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>30347</chebi_id>
  <biocyc_id/>
  <het_id>EDN</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce2f300220&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f301198&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2efc68&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2ef948&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2ef768&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2ef420&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2ef1f0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2eeef8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2eec00&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2f2ee890&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
