6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine

Base Information

• Chemical Name: 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine
• CAS No.: 252-73-3
• Molecular Formula: C15H14 N2
• Molecular Weight: 222.285
• ChEMBL ID: CHEMBL2272779
• DSSTox Substance ID: DTXSID20464049
• Nikkaji Number: J2.542.068C,J3.009.875G,J274.606I
• Mol file: 252-73-3.mol

Synonyms:6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine;252-73-3;unsubstituted Troger's base;SCHEMBL793253;CHEMBL2272779;DTXSID20464049;12h-5,11-methano-dibenzo[b,f][1,5] diazocin

Chemical Property of 6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine

Chemical Property:

• Melting Point: 136.5-137.0 °C
• Boiling Point: 415.2±45.0 °C(Predicted)
• PKA: 3.74±0.20(Predicted)
• PSA: 6.48000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 3.11430
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2N3CC4=CC=CC=C4N1C3