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CB-Cyclam

CAT: 0013-GTR19247907-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247907-01Size:1 mg
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Description
CB-Cyclam belongs to a class of bifunctional chelators (BFCs) . As a macrocyclic ligand, CB-Cyclam is a derivative of the tetradecane-based Cyclen and can be used in the conjugation reaction between peptides and radionuclides.
CAS Number
130701-19-8
Purity
99.95% (May vary between batches)
Smiles
N1CCN2CCN (CCNCCC2) CCC1
Molecular Formula
C12H26N4
Molecular Weight
226.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
CAS Number130701-19-8
PubChem CID398648
IUPAC Name1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
Molecular FormulaC12H26N4
Molecular Weight226.36
XLogP-0.3
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity166
SMILES
C1CNCCN2CCCNCCN(C1)CC2
InChI
InChI=1S/C12H26N4/c1-3-13-5-10-16-8-2-4-14-6-9-15(7-1)11-12-16/h13-14H,1-12H2
InChIKey
OBBKVQRWBGOVCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane
CAS: 130701-19-8
CID: 398648
Formula: C12H26N4
MW: 226.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.36
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass226.21574685
Monoisotopic Mass226.21574685
Topological Polar Surface Area30.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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