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Home > Encyclopedia > 1-Cyclopropylpiperazine

1-Cyclopropylpiperazine

1-Cyclopropylpiperazine structure

1-Cyclopropylpiperazine 

structure
  • CAS No:

    20327-23-5

  • Formula:

    C7H14N2

  • Chemical Name:

    1-Cyclopropylpiperazine

  • Synonyms:

    Cyclopropylpiperazine;N-cyclopropylpiperazine;1-Cyclopropylpiperazine;Piperazine,1-cyclopropyl-;(Piperazin-1-yl)cyclopropane

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-Cyclopropylpiperazine Basic Attributes

126.2

126.115700

1312995-182-4

DTXSID20406303

2933599090

Characteristics

15.3

0.2

1.0±0.1 g/cm3

43°C/7mm

89.2±9.4 °C

1.4804

Safety Information

8

3267

Xi

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Cyclopropylpiperazine Use and Manufacturing

A solution of tert-butyl 4-cyclopropylpiperazine-1-carboxylate (0.792 g, 3.50 mmol) in 4M HCl in 1, 4-dioxane (4.37 mL, 17.50 mmol) was stirred at room temperature for 3 h under nitrogen. The reaction mixture was filtered and washed with ether to afford crude 1-cyclopropylpiperazine (0.659 g) as a white solid. The crude product was purified by ion exchange chromatography, using a SCX column. The desired product was eluted from the column using 3.5M NH3/MeOH and pure fractions were evaporated to dryness to afford 1-cyclopropylpiperazine (0.264 g, 59.7percent) as a yellow oil. 1H NMR (399.9 MHz, DMSO-d6) δ 0.25-0.30 (2H, m), 0.35-0.40 (2H, m), 1.54-1.60 (1H, m), 2.43 (4H, t), 2.60-2.65 (4H, t), 3.30 (1H, s)

Computed Properties

Molecular Weight:126.20
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.115698455
Monoisotopic Mass:126.115698455
Topological Polar Surface Area:15.3
Heavy Atom Count:9
Complexity:93.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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