3-Hydroxyguanfacine

Base Information

• Chemical Name: 3-Hydroxyguanfacine
• CAS No.: 78197-84-9
• Molecular Formula: C9H9 Cl2 N3 O2
• Molecular Weight: 262.09
• DSSTox Substance ID: DTXSID10228834
• Mol file: 78197-84-9.mol

Synonyms:3-hydroxyguanfacine

Chemical Property of 3-Hydroxyguanfacine

Chemical Property:

• Vapor Pressure: 1.27E-09mmHg at 25°C
• Boiling Point: 474.3°C at 760 mmHg
• PKA: 7.82±0.23(Predicted)
• Flash Point: 240.7°C
• PSA: 102.69000
• Density: 1.63g/cm³
• LogP: 2.89150
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.0071819
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

3-HydroxyGuanfacine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1O)Cl)CC(=O)N=C(N)N)Cl
• Uses: 3-Hydroxy Guanfacine is the main metabolite of Guanfacine (G816000) in human plasma and urine.