Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:20 UTC
Update Date2025-03-21 18:00:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027457
Frequency138.2
Structure
Chemical FormulaC13H17Cl2N
Molecular Mass257.0738
SMILESCNC1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChI KeyNULZETMHSKIHTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • dialkylamines
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • Substituents
  • aryl chloride
  • secondary aliphatic amine
  • organochloride
  • secondary amine
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • organic nitrogen compound
  • amine