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51069-11-5 | 4-Phenylquinuclidine
CAS No: 51069-11-5 Catalog No: AG003450 MDL No:
Product Description
Catalog Number:
AG003450
Chemical Name:
4-Phenylquinuclidine
CAS Number:
51069-11-5
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
4-phenyl-1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H17N/c1-2-4-12(5-3-1)13-6-9-14(10-7-13)11-8-13/h1-5H,6-11H2
InChI Key:
CSKNWIPXDBBWRW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCN(CC1)CC2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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