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Home > Other Heterocycles > 83507-33-9

83507-33-9

83507-33-9 | 3-Benzyl-3-azabicyclo[3.2.1]octan-8-one

CAS No: 83507-33-9 Catalog No: AG003IYL MDL No:MFCD08275096

Product Description

Catalog Number:
AG003IYL
Chemical Name:
3-Benzyl-3-azabicyclo[3.2.1]octan-8-one
CAS Number:
83507-33-9
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD08275096
IUPAC Name:
3-benzyl-3-azabicyclo[3.2.1]octan-8-one
InChI:
InChI=1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
DCDAOVIVXGHHHU-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1CN(C2)Cc1ccccc1

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Synthesis and pharmacology of site specific cocaine abuse treatment agents: 8-substituted isotropane (3-azabicyclo[3.2.1]octane) dopamine uptake inhibitors. Journal of medicinal chemistry 20030410

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