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Merck
CN

311308

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
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24858511
MDL number:
MFCD00012358
Beilstein/REAXYS Number:
773877

Key Documents

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Product Name

1,4,7-Triazacyclononane, 95%

InChI

1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2

SMILES string

C1CNCCNCCN1

InChI key

ITWBWJFEJCHKSN-UHFFFAOYSA-N

assay

95%

form

solid

bp

110-130 °C/7 mmHg (lit.)

mp

42-45 °C (lit.)

Quality Level

200

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Application

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

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - 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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Certificates of Analysis (COA)

Lot/Batch Number
BGBB5733V
BGBB5733
06228JE
07104AX
17522HG

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Journal of the Chemical Society. Chemical Communications, 1473-1473 (1991)
Inorgorganica Chimica Acta, 195, 89-89 (1992)
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
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
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