CAS 133256-65-2

1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, hydrochloride (1:3)

Description:

1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, hydrochloride (1:3), with CAS number 133256-65-2, is a chemical compound characterized by its triazonine structure, which incorporates nitrogen atoms in a cyclic arrangement. This compound features three acetic acid groups, contributing to its potential as a chelating agent, particularly in coordination chemistry. The hexahydro designation indicates that the compound is fully saturated, which may influence its solubility and reactivity. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals and analytical chemistry. The presence of multiple functional groups suggests that it may participate in various chemical reactions, including complexation with metal ions. Overall, this compound's unique structure and properties make it of interest in both research and industrial contexts, particularly in areas involving coordination complexes and potential therapeutic applications.

Formula: C₁₂H₂₁N₃O₆·3ClH

InChI: InChI=1S/C12H21N3O6.3ClH/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21;;;/h1-9H2,(H,16,17)(H,18,19)(H,20,21);3*1H

InChI key: InChIKey=PDOAXUKFIYFVFO-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1CCN(CC(O)=O)CCN(CC(O)=O)CC1.Cl

Synonyms:

• 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, hydrochloride (1:3)
• 1,4,7-Triazacyclononane-N,N′,N′′-triacetic acid trihydrochloride
• 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, trihydrochloride

NOTA Trihydrochloride Salt

Controlled Product

CAS: 133256-65-2

Formula: C₁₂H₂₁N₃O₆•3HCl

Color and Shape: Neat

Molecular weight: 412.69

Ref: TR-N887450