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1-(2-Chloroethyl)piperazine dihydrochloride

  • CAS No. 53502-60-6

  • Cat. No. CS-0453437
  • Molecule weight221.56
  • Purity≥97%
  • MDL No.None

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

1-(2-Chloroethyl)piperazine dihydrochloride|CS-0453437

Structure of 53502-60-6

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General Information

  • CAS No. 53502-60-6
  • Cat. No. CS-0453437
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₅Cl₃N₂
  • Molecular Weight 221.56
  • Synonym(s) 1-(2-chloroethyl)piperazine Hydrochloride
  • SMILES C(CN1CCNCC1)Cl.Cl.Cl

Description

1-(2-Chloroethyl)piperazine dihydrochloride is a reactive bifunctional building block featuring a chloroethyl group that readily undergoes nucleophilic substitution. This enables efficient conjugation to thiols or other nucleophiles, making it valuable for covalent labeling applications in chemical biology and drug discovery workflows.

Application

1-(2-Chloroethyl)piperazine dihydrochloride serves as a versatile bifunctional electrophile in synthetic organic chemistry, enabling efficient alkylation of nucleophiles under mild conditions. The primary amine functionality facilitates conjugation with carboxylic acids and coupling to polymer supports, while the terminal chloroethyl group provides high reactivity toward amines, thiols, and other soft nucleophiles. Its crystalline solid form offers excellent bench stability and ease of handling, making it ideal for building blocks in medicinal chemistry and combinatorial library synthesis.

Synthesis

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    • In-stock
      1-(2-Chloroethyl)piperazine dihydrochloride|CS-0453437
      53502-60-6

    References

    • Hromatka; Engel Chemische Berichte, 1943 , vol. 76, p. 712,715
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      107-15-3
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    • ~%
    • In-stock
      1-(2-Chloroethyl)piperazine dihydrochloride|CS-0453437
      53502-60-6

    References

    • Borisenko, V. S.; Bobylev, V. A.; Selivanov, S. I.; Ut-sal', V. A.; Tereshchenko, G. F. J. Gen. Chem. USSR (Engl. Transl.), 1986 , vol. 56, # 10 p. 2339 - 2345,2066 - 2071

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   15.27
  • LogP   0.974
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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