Methylone Latest Revision: September 25, 2013

O

O NH CH3 CH O 3

1. GENERAL INFORMATION

IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one

CFR: Schedule I

CAS#: 186028-79-5 (base), 186028-80-8 (HCl)

Synonyms: bk-MDMA, b-ketone-MDMA, bk-methylenedioxymethamphetamine, MDMC, 3,4-methylenedioxymethcathinone, N-methyl-MDC, 3,4--N-methylcathinone, N-methyl-3,4-

Source: DEA Reference Material Collection

Appearance: White powder (HCl)

Kovat's Index: Pending

UVmax (nm): 234.0, 281.9, 320.1

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C11H13NO3 207 Not Determined . HCl C11H13NO3 HCl 243 248.4

3. ADDITIONAL RESOURCES http://forendex.southernforensic.org/index.php/detail/index/1094Forendex http://en.wikipedia.org/wiki/MethyloneWikipedia

Page 1 of 4

Page 2 of 6 4. QUALITATIVE DATA

4.1 NUCLEAR MAGNETIC RESONANCE

Method NMR D2O

Sample Preparation: Dilute analyte to ~25 mg/mL in d euterium oxide (D2O) containing TSP for 0 ppm reference and maleic acid as quantitative internal standard.

Instrument: 400 MHz NMR spectrometer Parameters: Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o Delay between pulses: 45 seconds 1 H NMR: Methylone HCl; Lot N1P25; D2O; 400 MHz HDO

10

9

8

7 Maleic acid (ISTD)

6

5

4

3

2 TSP 1

1 1 1 2 1 3 3

7 6 5Chemical Shift4 (ppm) 3 2 1 0 4 7.5 3 2 5.0 1 2.5

1 1 1 2 1 3 3

0.5757.650 0.5507.4750.5257.425 7.000 6.100 5.025 2.8250.5752.775 0.5251.600 Page 2 of 4 4.2 Gas Chromatography/Mass Spectrometry

Sample Preparation: Dilute analyte ~ 1 mg/mL base extracted into chloroform

Instrument: Agilent gas chromatograph operated in split mode with MS detector Column: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 mm Carrier Gas: Helium at 1 mL/min Temperatures: Injector: 280oC MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12 oC/min 3) Hold final temperature for 9.0 min Parameters: Split Ratio = 20:1, 1 mL injected MS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scan Retention Time: 9.462 min EI Mass Spectrum: Methylone HCl; Lot N1P25 ] 58 6 [x 10 Intensity

0.50

0.25 56 63 65 121 30 149 42 91 74 135 162 176 189 207

40 60 80 100 120 140 160 180 200 m/z ] 4 30 42 56 58 63 65 91 121 149 [x 10 135 74 162 176 189 207 Intensity

40 60 80 100 120 140 160 180 200 m/z Page 3 of 4 4.3 INFRARED SPECTROSCOPY (FTIR)

Insrument: FTIR with diamond ATR attachment (3 bounce) Scan Parameters: Number of scans: 32 Number of background scans: 32 Resolution: 4 cm-1 Sample gain: 8 Aperture: 150

FTIR ATR (Diamond, 3 Bounce): Methylone HCl; Lot N1P25 2459 %Transmittance 2908

80 584 1348 519 1500 2731 1603 1120

72 837 1421 741 1028 1676 879 64 928 1450 1090 56 1259 48

3500 3000 2500 2000 1500 Wavenumber (cm-1) 471 1169 1196 %Transmittance 652 422 1308 80 584 1383 1298 1348 451 519 1500 715 1603 1120 768 820 1470 808 72 837 1007 1421 741 991 1036 1028 1676 879 887 64 928 1450 1090 56 1259 48

1700 1600 1500 1400 1300 1200 1100 1000 900 800 700 Wavenumber (cm-1) Page 4 of 4