Isomethadone

CAS Registry Number®

466-40-0

CAS Name

Isomethadone

Molecular Formula

C21H27NO

Molecular Mass

309.45

Cite this Page

Isomethadone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116836-09-0 (retrieved 2024-11-25) (CAS RN: 466-40-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    215 °C

  • Melting Point (1)

    <25 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

InChIKey

InChIKey=IFKPLJWIEQBPGG-UHFFFAOYSA-N

SMILES

C(C(CN(C)C)C)(C(CC)=O)(C1=CC=CC=C1)C2=CC=CC=C2

Canonical SMILES

O=C(CC)C(C=1C=CC=CC1)(C=2C=CC=CC2)C(C)CN(C)C

Other Names for this Substance

  • 3-Hexanone, 6-(dimethylamino)-5-methyl-4,4-diphenyl-
  • 6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-hexanone
  • 6-Dimethylamino-5-methyl-4,4-diphenyl-3-hexanone
  • Isomethadone II
  • Isoamidone II

View All

Deleted or Replaced CAS Registry Numbers

116836-09-0, 1071551-19-3

CAS INSIGHTSTM
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