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Home > Other Heterocycles > 936110-21-3
936110-21-3 | 8-benzyl-8-azabicyclo[4.3.1]decan-10-one
CAS No: 936110-21-3 Catalog No: AG019W9I MDL No:MFCD13544605
Product Description
Catalog Number:
AG019W9I
Chemical Name:
8-benzyl-8-azabicyclo[4.3.1]decan-10-one
CAS Number:
936110-21-3
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
MDL Number:
MFCD13544605
IUPAC Name:
8-benzyl-8-azabicyclo[4.3.1]decan-10-one
InChI:
InChI=1S/C16H21NO/c18-16-14-8-4-5-9-15(16)12-17(11-14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2
InChI Key:
YRWJDTZCVQMORQ-UHFFFAOYSA-N
SMILES:
O=C1C2CCCCC1CN(C2)Cc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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