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Home > Other Heterocycles > 70243-51-5
70243-51-5 | (1R,3r,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ol
CAS No: 70243-51-5 Catalog No: AG01DKGD MDL No:
Product Description
Catalog Number:
AG01DKGD
Chemical Name:
(1R,3r,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ol
CAS Number:
70243-51-5
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ol
InChI:
InChI=1S/C15H21NO/c17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2/t13-,14+,15?
InChI Key:
DNAGSRDCXSVFLX-YIONKMFJSA-N
SMILES:
O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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