Cyclen

Catalog Number	ACM294906-1
CAS	294-90-6
Structure
Synonyms	10-Tetraazacyclododecane
IUPAC Name	1,4,7,10-Tetrazacyclododecane
Molecular Weight	172.27
Molecular Formula	C8H20N4
Canonical SMILES	C1CNCCNCCNCCN1
InChI	InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChI Key	QBPPRVHXOZRESW-UHFFFAOYSA-N
Boiling Point	292.61 °C
Melting Point	110-113 °C (lit.)
Purity	98%
Density	1.0415 g/ml
Appearance	Light-yellow powder
EC Number	425-450-9; 608-365-3
Exact Mass	172.16879665
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Monoisotopic Mass	172.16879665
pKa	10.53±0.20
Rotatable Bond Count	0
Topological Polar Surface Area	48.1 Ų

Q&A

What is the molecular formula of Cyclen?

The molecular formula of Cyclen is C8H20N4.

What is the melting point of Cyclen?

The melting point of Cyclen is 110-113 °C.

What is the solubility of Cyclen in chloroform?

Cyclen is slightly soluble in chloroform.

What is the stability of Cyclen?

Cyclen is hygroscopic in nature.

What is the logP value of Cyclen at 20℃?

The logP value of Cyclen at 20℃ is -0.63.

What is the chemical property of Cyclen?

Cyclen is almost white to slightly yellow crystalline powder, soluble in methanol, ethanol, dmso, and other organic solvents.

What is the application of Cyclen?

Cyclen is used as a ligand with chemicals in MRI contrast agents and other imaging agents.

How can Cyclen be synthesized?

Cyclen can be prepared by S-alkylation of dithiooxamide with an excess amount of bromoethane.

What is the general description of Cyclen?

Cyclen is a microcyclic tetramine that can be used as a ligand that forms a coordination linkage with surface metal cations.

What is the hazard classification of Cyclen?

Cyclen is classified as a hazard class 8 chemical.