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Chemical structure of Cyclen

GC30159

Cyclen

Also known as 1,4,7,10-tetrazacyclododecane

Cyclen is the aza analogue of crown ether, used as a precursor for MRI contrast agents, and is an intermediate for the preparation of effective macrocyclic chelates

ChemicalCAS294-90-6MW172.27FormulaC8H20N4
CAS number
294-90-6
Molecular weight
172.27
Formula
C8H20N4
Solubility
H2O : 50 mg/mL (290·24 mM; Need ultrasonic); DMSO : 1·85 mg/mL (10·74 mM; ultrasonic and warming and heat to 60°C)
InChIKey
QBPPRVHXOZRESW-UHFFFAOYSA-N
Catalogue number
GC30159
Brand
GLPBIO
Computed properties PubChem CID 64963 · XLogP -2.4 · TPSA 48.1 Ų · H-bond donors 4
XLogP
-2.4
TPSA
48.1 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

SMILES C1CNCCNCCNCCN1

Computed descriptors from PubChem (CID 64963), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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