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Home > Other Heterocycles > 17616-19-2
17616-19-2 | 3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
CAS No: 17616-19-2 Catalog No: AG007ATD MDL No:
Product Description
Catalog Number:
AG007ATD
Chemical Name:
3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
CAS Number:
17616-19-2
Molecular Formula:
C24H33NO4S
Molecular Weight:
431.5881
IUPAC Name:
3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
InChI:
InChI=1S/C23H29NO.CH4O3S/c1-17(2)24-20-13-14-21(24)16-22(15-20)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5(2,3)4/h3-12,17,20-23H,13-16H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
NLUJBZHBNXZLIL-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CC(N1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1)C
EC Number:
241-590-1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.213g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.591g/mol
Monoisotopic Mass:
431.213g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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