90610
1,4,7-Triazacyclononane
purum, ≥97.0% (GC)
Synonym(s):
Octahydro-1H-1,4,7-triazonine, Triethylenetriamine
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About This Item
Empirical Formula (Hill Notation):
C6H15N3
CAS Number:
Molecular Weight:
129.20
PubChem Substance ID:
UNSPSC Code:
12350000
Beilstein/REAXYS Number:
773877
MDL number:
SMILES string
C1CNCCNCCN1
InChI
1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
InChI key
ITWBWJFEJCHKSN-UHFFFAOYSA-N
grade
purum
assay
≥97.0% (GC)
impurities
≤2% water
bp
110-130 °C/7 mmHg (lit.)
Application
Possible reagent for compleximetric titrations with high cation-binding selectivity.
Other Notes
Aza-macrocycle used for the synthesis of derivatives with pendant arms
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8B - Non-combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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T.A. Kaden
Topics in Current Chemistry, 121, 157-157 (1984)
Arsénio de Sá et al.
Dalton transactions (Cambridge, England : 2003), 42(13), 4522-4532 (2013-01-26)
Due to its favorable relaxometric properties, Mn(2+) is an appealing metal ion for magnetic resonance imaging (MRI) contrast agents. This paper reports the synthesis and characterization of three new triazadicarboxylate-type ligands and their Mn(2+) chelates (NODAHep, 1,4,7-triazacyclononane-1,4-diacetate-7-heptanil; NODABA, 1,4,7-triazacyclononane-1,4-diacetate-7-benzoic acid;
Taizo Mori et al.
Journal of the American Chemical Society, 132(37), 12868-12870 (2010-09-03)
Construction of enzyme-like artificial cavities is a complex and challenging subject. Rather than synthesizing complicated host molecules, we have proposed mechanical adaptation of relatively simple hosts within dynamic media to determine the optimum conformation for molecular recognition. Here we have
Piper J Klemm et al.
Contrast media & molecular imaging, 7(1), 95-99 (2012-02-22)
Commercial gadolinium magnetic resonance imaging (MRI) contrast agents are limited by low relaxivity (r₁) and coordination to only a single water molecule (q = 1). Consequently, gram quantities of these agents must be injected to obtain sufficient diagnostic contrast. In this study
Jakub Simeček et al.
Dalton transactions (Cambridge, England : 2003), 41(45), 13803-13806 (2012-10-10)
The 1,4,7-triazacyclononane-1,4,7-tris(methylenephosphinic acid) chelators TRAP and NOPO are complexing copper-64 with similar efficiency as 1,4,7-triazacyclononane-triacetic acid (NOTA). The kinetic stability of Cu-64-labelled TRAP-peptides is sufficient for PET imaging at early time points (1-2 h post injection). For labelling of TRAP
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