Cas no 444892-03-9 ((S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt)

(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt structure
444892-03-9 structure
Product Name:(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt
CAS No:444892-03-9
MF:C15H24N2
MW:232.364463806152
MDL:MFCD03787915
CID:68128
PubChem ID:17998949
Update Time:2025-04-18

(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt Chemical and Physical Properties

Names and Identifiers

    • (S)-1-Benzyl-3-isobutylpiperazine
    • 1-Benzyl-3(R)-isobutylpiperazine
    • (S)-4-Benzyl-2-Isobutylpiperazine
    • (3S)-1-benzyl-3-(2-methylpropyl)piperazine
    • (S)-N4-BENZYL-2-ISOBUTYLPIPERAZINE
    • MFCD03787915
    • AKOS015911120
    • 444892-03-9
    • HQMROSCVRBNRRZ-HNNXBMFYSA-N
    • DTXSID20592154
    • SCHEMBL1005584
    • 1-BENZYL-3(S)-(-)-ISOBUTYLPIPERAZINE
    • A26355
    • (S)-1-Benzyl-3-isobutyl-piperazine
    • DB-310358
    • (S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt
    • MDL: MFCD03787915
    • Inchi: 1S/C15H24N2/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
    • InChI Key: HQMROSCVRBNRRZ-HNNXBMFYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CCN[C@@H](CC(C)C)C1

Computed Properties

  • Exact Mass: 232.19400
  • Monoisotopic Mass: 232.193948774g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 209
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Density: 0.956
  • Boiling Point: 326.2°C at 760 mmHg
  • Flash Point: 114.8°C
  • Refractive Index: 1.513
  • PSA: 15.27000
  • LogP: 2.77320

(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt Security Information

  • Hazardous Material Identification: Xi

(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt Pricemore >>

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(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt Production Method

(S)-1-Benzyl-3-Isobutylpiperazine Hydrochloride Salt Related Literature

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