Diphemanil methyl sulfate

CAS Registry Number®

62-97-5
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CAS Name

Diphemanil methyl sulfate

Molecular Formula

C20H24N.CH3O4S

Cite this Page

Diphemanil methyl sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62-97-5 (retrieved 2022-10-01) (CAS RN: 62-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=BREMLQBSKCSNNH-UHFFFAOYSA-M

SMILES

C(=C1CC[N+](C)(C)CC1)(C2=CC=CC=C2)C3=CC=CC=C3.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=S(=O)([O-])OC.C=1C=CC(=CC1)C(C=2C=CC=CC2)=C3CC[N+](C)(C)CC3

Other Names for this Substance

  • Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate (1:1)
  • Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate
  • 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate
  • Demotil
  • N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate