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Cyclen

CAT: 0804-HY-W007656-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W007656-02Size:5 g
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Description
Cyclen is a macrocyclic tetraamine. 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. Cyclen is employed as a structural regulator through interfacial polymerization of polyethleneimine (PEI) and trimesoyl chloride (TMC) to develop polyamide NF membrane with efficient Li+/Mg2+ separation performance. Cyclen has specific cavity structure and exhibits selective coordination properties for Li+ ions[1][2].
CAS Number
294-90-6
UNSPSC
12352005
Hazard Statement
H302, H311, H314, H410
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Cyclen.html
Purity
99.94
Solubility
DMSO : 1.85 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 50 mg/mL (ultrasonic)
Smiles
C1CNCCNCCNCCN1
Molecular Formula
C8H20N4
Molecular Weight
172.28
Precautions
H302, H311, H314, H410
References & Citations
[1]Rashid HU, et al. Cyclen-based Gd3+ complexes as MRI contrast agents: Relaxivity enhancement and ligand design. Bioorg Med Chem. 2016 Nov 15;24 (22) :5663-5684.|[2]Tingyu Li, et al., (2023) Nanofiltration membrane comprising structural regulator Cyclen for efficient Li+/Mg2+ separation, Desalination, Volume 556, 116575, ISSN 0011-9164.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
Phase 4

Chemical Information

1,4,7,10-Tetraazacyclododecane

1,4,7,10-tetraazacyclododecane is an azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. It is a saturated organic heteromonocyclic parent, a crown amine and an azacycloalkane.

CAS Number294-90-6
PubChem CID64963
IUPAC Name1,4,7,10-tetrazacyclododecane
Molecular FormulaC8H20N4
Molecular Weight172.27
XLogP-2.4
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity65
SMILES
C1CNCCNCCNCCN1
InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKey
QBPPRVHXOZRESW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7,10-Tetraazacyclododecane
CAS: 294-90-6
CID: 64963
Formula: C8H20N4
MW: 172.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.27
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass172.16879665
Monoisotopic Mass172.16879665
Topological Polar Surface Area48.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity65.1
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