2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Base Information

• Chemical Name: 2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one
• CAS No.: 135729-57-6
• Molecular Formula: C₁₉H₂₂N₂O
• Molecular Weight: 294.396
• DSSTox Substance ID: DTXSID001132086
• Nikkaji Number: J591.060I
• ChEMBL ID: CHEMBL1190276
• Mol file: 135729-57-6.mol

Synonyms:135729-57-6;SCHEMBL7269200;CHEMBL1190276;DTXSID001132086;(R)-RS-42358;2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Chemical Property of 2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 294.173213330
• Heavy Atom Count: 22
• Complexity: 506

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C3C(=CN(C(=O)C3=CC=C2)C4CN5CCC4CC5)C1
• Isomeric SMILES: C1CC2=C3C(=CN(C(=O)C3=CC=C2)[C@H]4CN5CCC4CC5)C1