Cas no 55053-79-7 (1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride)

1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride structure
55053-79-7 structure
Product Name:1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride
CAS No:55053-79-7
MF:C22H34Cl2N2O4
MW:461.422364711761
CID:1591752
PubChem ID:191358
Update Time:2025-04-21

1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride
    • 1-[2-[(2-hydroxy-3-phenoxypropyl)-methylamino]ethyl-methylamino]-3-phenoxypropan-2-ol,dihydrochloride
    • 1,1'-[Ethane-1,2-diylbis(methylazanediyl)]bis(3-phenoxypropan-2-ol)--hydrogen chloride (1/2)
    • DTXSID00970411
    • 55053-79-7
    • Rom 205
    • 1,1'-(1,2-Ethanediylbis(methylimino))bis(3-phenoxy-2-propanol, dihydrochloride
    • Inchi: 1S/C22H32N2O4.2ClH/c1-23(15-19(25)17-27-21-9-5-3-6-10-21)13-14-24(2)16-20(26)18-28-22-11-7-4-8-12-22;;/h3-12,19-20,25-26H,13-18H2,1-2H3;2*1H
    • InChI Key: FTGYKWAHGPIJIT-UHFFFAOYSA-N
    • SMILES: Cl.Cl.OC(COC1C=CC=CC=1)CN(C)CCN(C)CC(COC1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 460.18982
  • Monoisotopic Mass: 460.1895630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 13
  • Complexity: 351
  • 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: 65.4?2

Experimental Properties

  • PSA: 65.4

1,1'-[ethane-1,2-diylbis(methylimino)]bis(3-phenoxypropan-2-ol) dihydrochloride Related Literature

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