Tral

CAS Registry Number®

115-63-9

CAS Name

Tral

Molecular Formula

C20H33N2O.CH3O4S

Cite this Page

Tral.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115-63-9 (retrieved 2024-11-22) (CAS RN: 115-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=NSILVESQCSUIAJ-UHFFFAOYSA-M

SMILES

S(OC)(=O)(=O)[O-].C(CN1CC[N+](C)(C)CC1)(O)(C2CCCCC2)C3=CC=CC=C3

Canonical SMILES

O=S(=O)([O-])OC.OC(C=1C=CC=CC1)(CN2CC[N+](C)(C)CC2)C3CCCCC3

Other Names for this Substance

  • Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, methyl sulfate (1:1)
  • Piperazinium, 4-(β-cyclohexyl-β-hydroxyphenethyl)-1,1-dimethyl-, methyl sulfate
  • 4-(β-Cyclohexyl-β-hydroxyphenethyl)-1,1-dimethylpiperazinium methylsulfate
  • Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, methyl sulfate (salt)
  • 4-(β-Cyclohexyl-β-hydroxy-β-phenethyl)-1,1-dimethylpiperazinum methyl sulfate

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Deleted or Replaced CAS Registry Numbers

150350-97-3

CAS INSIGHTSTM
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