3-(6,7-Dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-2-propanone

Base Information

• Chemical Name: 3-(6,7-Dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-2-propanone
• CAS No.: 66170-04-5
• Molecular Formula: C22H20Cl3NO5
• Molecular Weight: 484.76
• DSSTox Substance ID: DTXSID40984653
• Nikkaji Number: J69.877F
• Mol file: 66170-04-5.mol

Synonyms:66170-04-5;3-(6,7-Dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-2-propanone;2-Propanone, 3-(6,7-dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-;1,1,1-trichloro-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)propan-2-one;C22H20Cl3NO5;DTXSID40984653;C22-H20-Cl3-N-O5;LS-122895;3-(6,7-Dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-2-propanone

Chemical Property of 3-(6,7-Dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-1,1,1-trichloro-2-propanone

Chemical Property:

• Vapor Pressure: 1.64E-12mmHg at 25°C
• Boiling Point: 558.6°C at 760 mmHg
• Flash Point: 291.6°C
• PSA: 66.88000
• Density: 1.356g/cm³
• LogP: 5.34040
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 483.040706
• Heavy Atom Count: 31
• Complexity: 604

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)C(=O)C(Cl)(Cl)Cl)OC