(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine

Base Information

• Chemical Name: (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine
• CAS No.: 155681-48-4
• Molecular Formula: C27H30N2
• Molecular Weight: 382.54100
• DSSTox Substance ID: DTXSID60439453
• Nikkaji Number: J493.672H
• Wikidata: Q82255405
• Pharos Ligand ID: SMYPTQR8SW84
• ChEMBL ID: CHEMBL431690
• Mol file: 155681-48-4.mol

Synonyms:155681-48-4;(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine;(2S,3S)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine;CHEMBL431690;L-703605;SCHEMBL4188315;DTXSID60439453;BDBM50002660;2beta-(Diphenylmethyl)-N-benzylquinuclidin-3beta-amine;((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine

Chemical Property of (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-benzyl-amine

Chemical Property:

• PSA: 15.27000
• LogP: 5.39990
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 382.240898965
• Heavy Atom Count: 29
• Complexity: 461

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5
• Isomeric SMILES: C1CN2CCC1[C@@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5
• Uses: (2S,3S)-2-Benzhydryl-N-benzylquinuclidin-3-amine is used as a reactant in the synthesis of enantiopure benzhydrylaminoquinuclidine.

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