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:
Molecular Weight:
129.20
Beilstein:
773877
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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Inorgorganica Chimica Acta, 195, 89-89 (1992)
Journal of the Chemical Society. Chemical Communications, 1473-1473 (1991)
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
Richard L Lord et al.
Journal of the American Chemical Society, 131(17), 6189-6197 (2009-04-15)
The role of spin state equilibria on the thermodynamics of electron transfer in [M(tacn)(2)](3+/2+) complexes (tacn = 1,4,7-triazacyclononane; M = Cr, Mn, Fe, Co, Ni) was examined using density functional theory at the B3LYP*/cc-pVTZ(-f) level coupled to a continuum solvation
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)
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