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Home > Other Heterocycles > 36769-17-2
36769-17-2 | (1R,3R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane
CAS No: 36769-17-2 Catalog No: AG01B926 MDL No:
Product Description
Catalog Number:
AG01B926
Chemical Name:
(1R,3R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane
CAS Number:
36769-17-2
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
(1S,5R)-3-phenyl-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C13H17N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,11-14H,6-9H2/t11?,12-,13+
InChI Key:
ORRDHOXURKUQRK-YHWZYXNKSA-N
SMILES:
C1C[C@@H]2N[C@H]1C[C@@H](C2)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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