1,4,7-Triazacyclononane

Catalog Number	ACM4730545-1
CAS	4730-54-5
Structure
Synonyms	1,4,7-Triazonane; 1H-1,4,7-Triazonine, octahydro-
IUPAC Name	1,4,7-triazonane
Molecular Weight	129.20
Molecular Formula	C6H15N3
Canonical SMILES	C1CNCCNCCN1
InChI	ITWBWJFEJCHKSN-UHFFFAOYSA-N
InChI Key	InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
Boiling Point	254.1 °C at 760 mmHg
Melting Point	42-45 °C -lit.
Purity	96%
Appearance	White to light yellow solid
Application	1,4,7-Triazacyclononane (TACN) serves as a versatile platform for creating ligands that effectively chelate with (radio)copper(II) ions. By modifying the substituents on TACN's macrocyclic ring, it is possible to form derivatives that yield highly stable copper(II) complexes, which vary in structural geometry and exhibit diverse thermodynamic stability and kinetic inertness. These characteristics make TACN-based complexes particularly useful for indirect radiolabeling applications, beneficial in imaging and therapeutic contexts. Furthermore, TACN acts as a potential starting material for synthesizing trifunctionalized derivatives used in metal complexation and is a suitable reagent for compleximetric titrations, owing to its high cation-binding selectivity.
Storage	2-8°C
Complexity	45.1
Covalently-Bonded Unit Count	1
Exact Mass	129.126597491
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Monoisotopic Mass	129.126597491
Rotatable Bond Count	0
Topological Polar Surface Area	36.1 Ų

Q&A

What is the molecular weight of 1,4,7-Triazacyclononane?

The molecular weight of 1,4,7-Triazacyclononane is 129.2.

What is the melting point of 1,4,7-Triazacyclononane?

The melting point of 1,4,7-Triazacyclononane is 42-45 °C.

In what form is 1,4,7-Triazacyclononane commonly found?

1,4,7-Triazacyclononane is commonly found in crystal form.

Is 1,4,7-Triazacyclononane soluble in water?

Yes, 1,4,7-Triazacyclononane is soluble in water.

What is the chemical formula of 1,4,7-Triazacyclononane?

The chemical formula of 1,4,7-Triazacyclononane is C6H15N3.

What is the hazard class of 1,4,7-Triazacyclononane?

The hazard class of 1,4,7-Triazacyclononane is 8.

What is the abbreviation for 1,4,7-Triazacyclononane?

The abbreviation for 1,4,7-Triazacyclononane is TACN.

How is 1,4,7-Triazacyclononane prepared?

1,4,7-Triazacyclononane is prepared from diethylene triamine using a macrocyclization process.

What are some of the uses of 1,4,7-Triazacyclononane?

1,4,7-Triazacyclononane is used as a starting material for the synthesis of functional derivatives with applications in metal complexation.

What is the potential application of 1,4,7-Triazacyclononane?

1,4,7-Triazacyclononane can be used as a possible reagent for compleximetric titrations with high cation-binding selectivity.