<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:00:57 UTC</creation_date>
  <update_date>2026-08-22 21:02:54 UTC</update_date>
  <accession/>
  <common_name>N,N-Dimethylaminoisopropanol</common_name>
  <class>SmallMolecule</class>
  <description>N,N-Dimethylaminoisopropanol is an organic nitrogen compound with the chemical formula C5H13NO and an average molecular weight of 103.17 g/mol. N,N-Dimethylaminoisopropanol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. Industrially, the compound is utilized as a pH regulating agent.

This substance has been identified in seven recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, discharge lamps, emergency protective devices, and superconductive or hyperconductive conductors cables or transmission lines. It has also been detected in drinking water and water supply, as well as in indoor air, dust, and atmospheric transport. Additionally, it is associated with building and construction materials, specifically ladders. Recorded exposure routes for N,N-Dimethylaminoisopropanol include oral intake and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-(dimethylamino)propan-2-ol</synonym>
    <synonym>3-dimethylaminopropan-1-ol</synonym>
    <synonym>Dimepranol</synonym>
  </synonyms>
  <chemical_formula>C5H13NO</chemical_formula>
  <average_molecular_weight>103.165</average_molecular_weight>
  <monisotopic_moleculate_weight>103.099714043</monisotopic_moleculate_weight>
  <iupac_name>3-(dimethylamino)propan-1-ol</iupac_name>
  <traditional_iupac>1-propanol, 3-(dimethylamino)-</traditional_iupac>
  <cas_registry_number>108-16-7</cas_registry_number>
  <smiles>CN(C)CCCO</smiles>
  <inchi>InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3</inchi>
  <inchikey>PYSGFFTXMUWEOT-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>1,3-aminoalcohols</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Trialkylamines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,3-aminoalcohol</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
      <substituent>Tertiary amine</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <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>-0.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.16</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>1.06</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.18e+03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.44</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>15.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3-(dimethylamino)propan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>103.165</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>103.099714043</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN(C)CCCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C5H13NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PYSGFFTXMUWEOT-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>23.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>31.15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>12.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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:0x00007f3bb3d33178&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>76646</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>69110</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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</compound>
