Home Other Heterocycles 83507-33-9
83507-33-9,MFCD08275096
Catalog No.:AA003IVT
83507-33-9 | 3-Benzyl-3-azabicyclo[3.2.1]octan-8-one
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  • Technical Information
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  • Literature
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  • Technical Information
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Technical Information
Catalog Number:
AA003IVT
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
Computed 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  

Synonyms
 
3-benzyl-3-azabicyclo[3.2.1]octan-8-one 
83507-33-9 
DTXSID20576131 
DCDAOVIVXGHHHU-UHFFFAOYSA-N 
ACT10384 
CS-D1785 
KS-000007PN 
MFCD08275096 
AKOS009108659 
AC-5761 
AM81207 
CB-2033 
3-Azabicyclo[3.2.1]octan-8-one, 3-(phenylmethyl)- 
CS-W003492 
MCULE-5739721466 
PB34286 
AK-50158 
AN-10624 
BC677159 
DS-15351 
SY022397 
AB0074892 
DB-075942 
3-benzyl-3-azabicyclo[3,2,1]octan-8-one 
TR-025975 
3-benyl-3-aza-bicyclo[3.2.1]octan-8-one 
3-Benzyl-3-azabicyclo[3.2.1]octane-8-one 
FT-0654131 
3-benzyl-3-azabicyclo-[3.2.1]octan-8-one 
EN300-43580 
3-benzyl-3-aza-bicyclo [3.2.1]octane-8-one 
Q-1517 
3-Benzyl-3-aza bicyclo [3.2.1] octan-8-one 
MFCD08275096 (97+%) 
3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one 
A1-02712 
I14-7523 
J-511757 
3-Azabicyclo[3.2.1]octan-8-one,3-(phenylmethyl)- 
Z291279266 
3-Benzyl-3-azabicylo[3.2.1]octan-8-one 
ACN-045257 
3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-one 
AC1Q6DVA 
3-(PHENYLMETHYL)-3-AZABICYCLO[3.2.1]OCTAN-8-ONE 
SCHEMBL1514852 
CTK5F0782 
Literature

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

Journal: Journal of medicinal chemistry 20030410

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