Pyrovalerone

CAS Registry Number®

3563-49-3
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CAS Name

Pyrovalerone

Molecular Formula

C16H23NO

Molecular Mass

245.36

Cite this Page

Pyrovalerone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3563-49-3 (retrieved 2024-04-19) (CAS RN: 3563-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    104 °C @ Press: 0.08 Torr

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3

InChIKey

InChIKey=SWUVZKWCOBGPTH-UHFFFAOYSA-N

SMILES

C(C(=O)C1=CC=C(C)C=C1)(CCC)N2CCCC2

Canonical SMILES

O=C(C1=CC=C(C=C1)C)C(N2CCCC2)CCC

Other Names for this Substance

  • 1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-
  • Valerophenone, 4′-methyl-2-(1-pyrrolidinyl)-
  • 1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-pentanone
  • 4′-Methyl-2-(1-pyrrolidinyl)valerophenone
  • Pyrovalerone

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