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Compound Fr13281

CAT: 0013-GTR19269901-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269901-02Size:5 mg
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Description
Compound Fr13281, with CAS No. 41959-29-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13281 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
41959-29-9
Smiles
OC1CC2CCC1N (Cc1ccccc1) C2
Molecular Formula
C14H19NO
Molecular Weight
217.312
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Benzyl-2-azabicyclo[2.2.2]octan-6-ol
CAS Number41959-29-9
PubChem CID3698650
IUPAC Name2-benzyl-2-azabicyclo[2.2.2]octan-6-ol
Molecular FormulaC14H19NO
Molecular Weight217.31
XLogP2.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity237
SMILES
C1CC2C(CC1CN2CC3=CC=CC=C3)O
InChI
InChI=1S/C14H19NO/c16-14-8-12-6-7-13(14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2
InChIKey
LSQZRPLAUOVRPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyl-2-azabicyclo[2.2.2]octan-6-ol
CAS: 41959-29-9
CID: 3698650
Formula: C14H19NO
MW: 217.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass217.146664230
Monoisotopic Mass217.146664230
Topological Polar Surface Area23.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19269904-01Compound Fr13285
GTR19269903-01Compound Fr13284
GTR19270070-01Compound Fr14281
GTR19270018-01Compound Fr13981
GTR19269940-01Compound Fr13618
GTR19269928-01Compound Fr13491

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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