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Home > Other Heterocycles > 81879-64-3
81879-64-3 | 3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one
CAS No: 81879-64-3 Catalog No: AG005H0P MDL No:MFCD09802217
Product Description
Catalog Number:
AG005H0P
Chemical Name:
3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one
CAS Number:
81879-64-3
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD09802217
IUPAC Name:
3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C15H19NO/c17-15-13-7-4-8-14(15)11-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChI Key:
TWCUMUDCNSLOTN-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1CN(C2)Cc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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