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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/REAXYS Number:
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

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

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

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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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
Inorgorganica Chimica Acta, 195, 89-89 (1992)
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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
Jakub Šimeček et al.
Inorganic chemistry, 51(1), 577-590 (2012-01-10)
Three phosphinic acid 1,4,7-triazacyclononane (TACN) derivatives bearing methylphosphinic (TRAP-H), methyl(phenyl)phosphinic (TRAP-Ph), or methyl(hydroxymethyl)phosphinic acid (TRAP-OH) pendant arms were investigated as members of a new family of efficient Ga(3+) chelators, TRAP ligands (triazacyclononane phosphinic acids). Stepwise protonation constants of ligands and
Bim Graham et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 879(13-14), 844-852 (2011-03-25)
The protein binding characteristics of the immobilized binucleating chelate system, 1,4-bis(1,4,7-triazacyclononan-1-yl)butane (tacn(2)butane), complexed with Cu(2+) ions have been investigated with hen egg white lysozyme, horse skeletal muscle myoglobin and horse heart cytochrome C, as well as three histidine-rich proteins, serum
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