Propazine (CHEM002869)

Record Information
Version1.0
Creation Date2013-04-25 07:56:54 UTC
Update Date2026-08-25 13:29:22 UTC
Accession NumberCHEM002869
Identification
Common NamePropazine
ClassSmall Molecule
Description
Propazine is an herbicide used for control of broadleaf weeds and annual grasses in sweet sorghum. It is applied as a spray at the time of planting or immediately following planting, but prior to weed or sorghum emergence. It is also used as a postemergence selective herbicide on carrots, celery and fennel. Propazine is classified as a slightly toxic compound in EPA toxicity class III and as a General Use Pesticide.
Contaminant Sources
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amine
  • Herbicide
  • Organic Compound
  • Organochloride
  • PMT
  • Pesticide
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2,4-Bis(isopropylamino)-6-chloro-S-triazineChEBI
2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazineChEBI
2-Chloro-4,6-bis(isopropylamino)-S-triazineChEBI
6-Chloro-N,n'-(1-methylethyl)-[1,3,5]triazine-2,4-diamineChEBI
6-Chloro-N,n'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamineChEBI
6-Chloro-N,n'-diisopropyl-1,3,5-triazine-2,4-diamineChEBI
6-Chloro-N,n'-diisopropyl-1,3,5-triazine-2,4-diyldiamineChEBI
ProzinexChEBI
Geigy 30,028MeSH
GesamilMeSH
Chemical FormulaC9H16ClN5
Average Molecular Mass229.710 g/mol
Monoisotopic Mass229.109 g/mol
CAS Registry Number139-40-2
IUPAC Name6-chloro-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine
Traditional Namepropazine
SMILESCC(C)NC1=NC(NC(C)C)=NC(Cl)=N1
InChI IdentifierInChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChI KeyWJNRPILHGGKWCK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub ClassAminotriazines
Direct Parent1,3,5-triazine-2,4-diamines
Alternative Parents
Substituents
  • 2,4-diamine-s-triazine
  • Chloro-s-triazine
  • Halo-s-triazine
  • Secondary aliphatic/aromatic amine
  • N-aliphatic s-triazine
  • Aryl chloride
  • Aryl halide
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Secondary amine
  • Amine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.024 g/LALOGPS
logP2.94ALOGPS
logP2.61ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)14.31ChemAxon
pKa (Strongest Basic)3.17ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area62.73 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity66.63 m³·mol⁻¹ChemAxon
Polarizability24.31 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesThis is a man-made compound that is used as a pesticide.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0256821
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID4768
ChEBI ID38067
PubChem Compound IDNot Available
Kegg Compound IDC14312
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16986790
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23875679