3-(6-(2-Dimethylaminoethyl)-1,3-benzodioxol-5-ylmethylene)-6,7-dimethoxyisoindolin-1-one hydrochloride

Base Information

• Chemical Name: 3-(6-(2-Dimethylaminoethyl)-1,3-benzodioxol-5-ylmethylene)-6,7-dimethoxyisoindolin-1-one hydrochloride
• CAS No.: 548-71-0
• Molecular Formula: C22H24 N2 O5 . Cl H
• Molecular Weight: 432.8973
• European Community (EC) Number: 208-956-2
• Mol file: 548-71-0.mol

Synonyms:EINECS 208-956-2;3-(6-(2-Dimethylaminoethyl)-1,3-benzodioxol-5-ylmethylene)-6,7-dimethoxyisoindolin-1-one hydrochloride;548-71-0;C22H24N2O5.ClH;1H-Isoindol-1-one, 3-((6-(2-(dimethylamino)ethyl)-1,3-benzodioxol-5-yl)methylene)-2,3-dihydro-6,7-dimethoxy-, monohydrochloride

Chemical Property of 3-(6-(2-Dimethylaminoethyl)-1,3-benzodioxol-5-ylmethylene)-6,7-dimethoxyisoindolin-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 1.29E-15mmHg at 25°C
• Boiling Point: 626.6°Cat760mmHg
• Flash Point: 332.8°C
• PSA: 72.75000
• Density: g/cm³
• LogP: 3.59050
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 432.1451996
• Heavy Atom Count: 30
• Complexity: 624

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.Cl
• Isomeric SMILES: CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.Cl