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311308

Sigma-Aldrich

1,4,7-Triazacyclononane

95%

Synonym(s):

Octahydro-1H-1,4,7-triazonine, Triethylenetriamine

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About This Item

Empirical Formula (Hill Notation):
C6H15N3
CAS Number:
4730-54-5
Molecular Weight:
129.20
Beilstein:
773877
MDL number:
MFCD00012358
UNSPSC Code:
12352005
PubChem Substance ID:
24858511
NACRES:
NA.22

Assay

95%

form

solid

bp

110-130 °C/7 mmHg (lit.)

mp

42-45 °C (lit.)

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

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Application

Starting material for the synthesis of 1,4,7-trifunctionalized derivatives which have applications in metal complexation.
Possible reagent for compleximetric titrations with high cation-binding selectivity.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Didar Asik et al.
Molecules (Basel, Switzerland), 25(10) (2020-05-18)
Complexes of Fe(III) that contain a triazacyclononane (TACN) macrocycle, two pendant hydroxyl groups, and a third ancillary pendant show promise as MRI contrast agents. The ancillary group plays an important role in tuning the solution relaxivity of the Fe(III) complex
Christopher C Scarborough et al.
Inorganic chemistry, 50(24), 12446-12462 (2011-11-17)
The electron transfer series of complexes [Cr((t)bpy)(3)](n)(PF(6))(n) (n = 3+, 2+, 1+, 0 (1-4)) has been synthesized and the molecular structures of 1, 2, and 3 have been determined by single-crystal X-ray crystallography; the structure of 4 has been investigated
Jane T Mooney et al.
Journal of chromatography. A, 1218(1), 92-99 (2010-12-17)
This study describes the screening of a peptide phage display library for amino acid sequences that bind with different affinities to a novel class of chelating ligands complexed with Ni²+ ions. These chelating ligands are based on the 1,4,7-triazacyclononane (TACN)
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
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