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Home > Other Heterocycles > 34025-58-6
34025-58-6 | 2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
CAS No: 34025-58-6 Catalog No: AG019HU8 MDL No:
Product Description
Catalog Number:
AG019HU8
Chemical Name:
2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
CAS Number:
34025-58-6
Molecular Formula:
C20H21NO
Molecular Weight:
291.3868
IUPAC Name:
2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C20H21NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-19,21H,7,12-13H2
InChI Key:
KNKOJSYQFMMPDA-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1C(NC2c1ccccc1)c1ccccc1
NSC Number:
366062
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.394g/mol
Monoisotopic Mass:
291.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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