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1,4,7-Triazonane trihydrochloride

  • CAS No. 58966-93-1

  • Cat. No. CS-0105719
  • Purity≥97%
  • MDL No.MFCD00074887

*For research and further manufacturing use only, not for direct human use.

1,4,7-Triazonane trihydrochloride|CS-0105719

Structure of 58966-93-1

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General Information

  • CAS No. 58966-93-1
  • Cat. No. CS-0105719
  • Purity ≥97%
  • MDL No. MFCD00074887
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₈Cl₃N₃
  • Molecular Weight 238.59
  • Synonym(s) Octahydro-1H-1,4,7-triazonine Trihydrochloride
  • SMILES [H]Cl.[H]Cl.[H]Cl.N1CCNCCNCC1

Description

1,4,7-Triazacyclononane trihydrochloride can be used as a reagent to prepare: Nonadentate ligand, 1,4,7-tris[(6-carboxypyridin-2-yl)methyl]-1,4,7-triazacyclononane (H3tpatcn), which is used to prepare lanthanide complexes with high water solubility and rigid C3 symmetric structures. Dansyl cryptands as fluorescent indicators via amination of (bromobenzyl)triazacycloalkane and oxadiamines. [1,4,7-tri(3-butenyl)-1,4,7-triazacyclononane and 1,4,7-tri(2-propenyl)-1,4,7-triazacyclononane] by reacting with corresponding alkenyl halide.

Synthesis

  • Route1

    References

    • Eitel, Simon H.; Bauer, Matthias; Schweinfurth, David; Deibel, Naina; Sarkar, Biprajit; Kelm, Harald; Krueger, Hans-Joerg; Frey, Wolfgang; Peters, Rene Journal of the American Chemical Society, 2012 , vol. 134, # 10 p. 4683 - 4693

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   36.09
  • LogP   0.0342
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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