CAS 4730-54-5 1,4,7-Triazacyclononane - Materials / Alfa Chemistry

NAVIGATION

1,4,7-Triazacyclononane

PRICE INQUIRY

Catalog Number

ACM4730545-1

CAS Number

4730-54-5

Product Name

1,4,7-Triazacyclononane

Category

Macrocycles; Supramolecular Host Materials; Polymerization Reagents

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

Exact Mass

129.126597491

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

129.126597491