3-Chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone

Base Information

• Chemical Name: 3-Chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone
• CAS No.: 66170-03-4
• Molecular Formula: C22H22ClNO5
• Molecular Weight: 415.87
• DSSTox Substance ID: DTXSID80984652
• Nikkaji Number: J69.790G
• Mol file: 66170-03-4.mol

Synonyms:66170-03-4;3-chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)propan-2-one;3-Chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone;2-Propanone, 3-chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-;C22H22ClNO5;C22-H22-Cl-N-O5;DTXSID80984652;LS-122800;3-Chloro-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)-2-propanone

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

Chemical Property:

• Vapor Pressure: 3.68E-12mmHg at 25°C
• Boiling Point: 550.3°C at 760 mmHg
• Flash Point: 286.6°C
• PSA: 66.88000
• Density: 1.243g/cm³
• LogP: 4.20900
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 415.1186505
• Heavy Atom Count: 29
• Complexity: 535

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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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)CCl)OC

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