(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile

Base Information

• Chemical Name: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile
• CAS No.: 160446-14-0
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.282
• DSSTox Substance ID: DTXSID601202754

Synonyms:Enamine_001609;Oprea1_687401;SCHEMBL9433430;DTXSID601202754;HMS1398J03;STL342769;AKOS000195419;160446-14-0;SR-01000030301;SR-01000030301-1;Z56801821;3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolineacetonitrile;(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile

Chemical Property of (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetonitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 299

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MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2CN(CCC2=C1)CC#N)OC

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