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Pentedrone
SpectraBase Compound ID 14HmuXIEiym
InChI InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKey WLIWIUNEJRETFX-UHFFFAOYSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 98xwFiHIKjB
Name Pentedrone
Source of Sample Cayman Chemical Company
Catalog Number Free base of 11011
Lot Number Free base of 9437629-2
CAS Registry Number 879722-57-3
Classification substituted cathinone that is structurally similar to methcathinone, a psychoactive stimulant that is a controlled substance in the United States and other countries. Pentedrone differs from methcathinone by having a propyl, rather than methyl, side chain.
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DEA Schedule I
Formula C12H17NO
IUPAC Name 2-(Methylamino)-1-phenyl-1-pentanone
InChI InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKey WLIWIUNEJRETFX-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(C(C(c1ccccc1)=O)CCC)C
Sample Preparation Procedure The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on a KBr wafer for Transmission IR.
Source of Spectrum Forensic Spectral Research
Synonyms α-Methylaminovalerophenone
Technique Film (Dichloromethane)