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Merck
CN

90610

Sigma-Aldrich

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:
4730-54-5
Molecular Weight:
129.20
Beilstein:
773877
MDL number:
MFCD00012358
UNSPSC Code:
12350000
PubChem Substance ID:
24889386

Key Documents

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grade

purum

Assay

≥97.0% (GC)

impurities

≤2% water

bp

110-130 °C/7 mmHg (lit.)

mp

42-45 °C (lit.)
42-45 °C

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

Possible reagent for compleximetric titrations with high cation-binding selectivity.

Other Notes

Aza-macrocycle used for the synthesis of derivatives with pendant arms

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Precautionary Statements

P280 - P305 + P351 + P338 - P310

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8B - Non-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

Regulatory Information

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T.A. Kaden
Topics in Current Chemistry, 121, 157-157 (1984)
Qin-Fang Zhang et al.
Bioorganic & medicinal chemistry letters, 21(23), 7045-7049 (2011-10-19)
A series of novel cationic lipids based on 1,4,7-triazacyclononane (TACN) with different hydrophobic chains were synthesized via the formation of a biodegradable ester bond. These lipids were found to have good buffering capacity at the pH range of 5.0-6.5, which
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
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
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