1,4,7-Triazacyclononane

Product Information

Molecular Formula:
C6H15N3
Molecular Weight:
129.20
Description
1,4,7-Triazacyclononane (CAS# 4730-54-5) is a useful research chemical.
Synonyms
1,4,7-triazonane; 1,4,7-triazonane
IUPAC Name
1,4,7-triazonane
Canonical SMILES
C1CNCCNCCN1
InChI
InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
InChI Key
ITWBWJFEJCHKSN-UHFFFAOYSA-N
Boiling Point
113 ℃ / 7 mmHg
Melting Point
45 ℃
Purity
> 98.0 % (GC)
Density
0.874 g/cm3
Appearance
White to almost white powder to crystal
LogP
-0.24480

Safety Information

Hazards
H314
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
-1.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
129.126597491 g/mol
Monoisotopic Mass
129.126597491 g/mol
Topological Polar Surface Area
36.1Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
45.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114062565-A Method for detecting compound containing DOTA ring or NOTA ring in sample 2022-01-14
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CN-114116944-A Trajectory prediction method and device based on time attention convolution network 2021-11-30
CN-114117259-A Trajectory prediction method and device based on double attention mechanism 2021-11-30
CN-113980581-A Environment-friendly suspending agent based on sapphire grinding, and preparation method and application thereof 2021-11-29
CN-114121795-A Multi-threshold device manufacturing method and device structure 2021-11-25
CN-114028590-A Granzyme B targeting complex, radiopharmaceutical, preparation methods and applications thereof 2021-11-18
CN-114014843-A PSMA (patterned beam-selective membrane antigen) targeted nuclide/fluorescent bimodal ligand, molecular probe and application 2021-11-17
CN-114163499-A Cadherin inhibitor and preparation method and application thereof 2021-11-11
CN-113831022-A CsPbBr3:xDy3+Formula, preparation method and application of quantum dot glass 2021-10-18

Literatures

PMID Publication Date Title Journal
32869927 2020-12-01 The molecular effect of 1,4,7-triazacyclononane on oxidative stress parameters in human hepatocellular carcinoma (HepG2) cells Journal of biochemical and molecular toxicology
23044866 2012-12-07 Copper-64 labelling of triazacyclononane-triphosphinate chelators Dalton transactions (Cambridge, England : 2003)
22580919 2012-06-28 New half sandwich Ru(II) coordination compounds for anticancer activity Dalton transactions (Cambridge, England : 2003)
22497506 2012-05-07 In vivo imaging of folate receptor positive tumor xenografts using novel 68Ga-NODAGA-folate conjugates Molecular pharmaceutics
22416667 2012-04-02 Combining bifunctional chelator with (3 + 2)-cycloaddition approaches: synthesis of dual-function technetium complexes Inorganic chemistry
21960257 2012-02-01 Type 1 copper site synthetic model complexes with increased redox potentials Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22221199 2012-01-16 Phosphodiester cleavage properties of copper(II) complexes of 1,4,7-triazacyclononane ligands bearing single alkyl guanidine pendants Inorganic chemistry
22221285 2012-01-02 Complexation of metal ions with TRAP (1,4,7-triazacyclononane phosphinic acid) ligands and 1,4,7-triazacyclononane-1,4,7-triacetic acid: phosphinate-containing ligands as unique chelators for trivalent gallium Inorganic chemistry
22344885 2012-01-01 Improving T₁ and T₂ magnetic resonance imaging contrast agents through the conjugation of an esteramide dendrimer to high-water-coordination Gd(III) hydroxypyridinone complexes Contrast media & molecular imaging
22085200 2011-12-19 Electronic and molecular structures of the members of the electron transfer series [Cr(tbpy)3]n (n = 3+, 2+, 1+, 0): an X-ray absorption spectroscopic and density functional theoretical study Inorganic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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