Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:01:20 UTC
Update Date2025-03-21 18:06:49 UTC
HMDB IDHMDB0246025
Metabolite Identification
DeepMet IDDMID00065336
Name3,4-Dichloroaniline
Frequency46.9
Structure
Chemical FormulaC6H5Cl2N
Molecular Mass160.9799
SMILESNc1ccc(Cl)c(Cl)c1
InChI KeySDYWXFYBZPNOFX-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
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aryl chloride
  • organochloride
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • primary amine
  • organic nitrogen compound
  • amine