Cas no 101975-96-6 (Piperazine,1,4-bis(1-phenylethyl)-, hydrobromide (1:2))

Piperazine,1,4-bis(1-phenylethyl)-, hydrobromide (1:2) structure
101975-96-6 structure
Product Name:Piperazine,1,4-bis(1-phenylethyl)-, hydrobromide (1:2)
CAS No:101975-96-6
MF:C20H28Br2N2
MW:456.257723808289
CID:193112
PubChem ID:3064086
Update Time:2025-04-19

Piperazine,1,4-bis(1-phenylethyl)-, hydrobromide (1:2) Chemical and Physical Properties

Names and Identifiers

    • Piperazine,1,4-bis(1-phenylethyl)-, hydrobromide (1:2)
    • 1,4-bis(1-phenylethyl)piperazine,dihydrobromide
    • 1,4-Bis(1-phenylethyl)piperazine--hydrogen bromide (1/2)
    • Piperazine, 1,4-bis(alpha-methylbenzyl)-, dihydrobromide
    • F 198
    • DTXSID20906919
    • 101975-96-6
    • 1,4-Bis(alpha-methylbenzyl)piperazine dihydrobromide
    • Inchi： 1S/C20H26N2.2BrH/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20;;/h3-12,17-18H,13-16H2,1-2H3;2*1H
    • InChI Key： IIFIKHHVHRKGMH-UHFFFAOYSA-N
    • SMILES： Br.Br.N1(C(C)C2C=CC=CC=2)CCN(C(C)C2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 454.06204
  • Monoisotopic Mass: 454.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 278
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 6.5?2

Experimental Properties

  • Boiling Point: 387.1°Cat760mmHg
  • Flash Point: 169.9°C
  • PSA: 6.48
  • LogP: 5.91840

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