CAS 58966-93-1 1,4,7-Triazacyclononane Trihydrochloride

NAVIGATION

1,4,7-Triazacyclononane Trihydrochloride

PRICE INQUIRY

Catalog Number

ACM58966931-1

CAS Number

58966-93-1

Product Name

1,4,7-Triazacyclononane Trihydrochloride

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

1,4,7-triazonane;trihydrochloride

Molecular Weight

238.6g/mol

Molecular Formula

C6H18Cl3N3

Canonical SMILES

C1CNCCNCCN1.Cl.Cl.Cl

InChI

InChI=1S/C6H15N3.3ClH/c1-2-8-5-6-9-4-3-7-1;;;/h7-9H,1-6H2;3*1H

InChI Key

HNPMVNQYFPWBKI-UHFFFAOYSA-N

Application

1,4,7-Triazacyclononane Trihydrochloride serves as a versatile reagent in various chemical applications due to its unique structural properties. It functions as an irreversible oxidation catalyst, particularly for carboxylate and amine molecules, and exhibits reversible oxidation with inorganic acids like phosphoric, nitric, and sulfuric acid, thanks to its redox potentials ranging from -0.35 to -0.5 volts. As a chelate ring with six phosphate groups and six nitrogen atoms, it offers high cation-binding selectivity, making it valuable in complexometric titrations. Additionally, it plays a significant role in organic synthesis, where it aids in the formation of ligands and compounds that incorporate a triazacyclononane group. Specific applications include the synthesis of nonadentate ligands like H3tpatcn for creating lanthanide complexes, as well as in the production of dansyl cryptands through strategic reactions with alkenyl halides.

Complexity

45.1

Covalently-Bonded Unit Count

Exact Mass

237.056631g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

237.056631g/mol

Rotatable Bond Count

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