2-Phenyl-1,4-diazabicyclo[2.2.2]octane

Base Information

• Chemical Name: 2-Phenyl-1,4-diazabicyclo[2.2.2]octane
• CAS No.: 115609-00-2
• Molecular Formula: C12H16 N2
• Molecular Weight: 188.27
• DSSTox Substance ID: DTXSID30601746
• Mol file: 115609-00-2.mol

Synonyms:115609-00-2;2-PHENYL-1,4-DIAZABICYCLO[2.2.2]OCTANE;1,4-Diazabicyclo[2.2.2]octane,2-phenyl-(9CI);SCHEMBL4434015;DTXSID30601746;DB-279123;1,4-Diazabicyclo[2.2.2]octane, 2-phenyl-

Chemical Property of 2-Phenyl-1,4-diazabicyclo[2.2.2]octane

Chemical Property:

• PSA: 6.48000
• LogP: 1.23470
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCN1CC2C3=CC=CC=C3