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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Related Categories
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.
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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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
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
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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