3,4-Methylenedioxycathinone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
O
CH3
O
O
NH2
1. GENERAL INFORMATION
IUPAC Name:
2-amino-1-(1,3-benzodioxol-5-yl)propan-1-one
CAS#:
Not Available
Synonyms:
MDC, MDCATH, Bk-MDA, Amylone
Source:
DEA Reference Materials Collection
Appearance:
White powder (HCl)
UVmax (nm):
280.4 , 316.0
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form
Chemical Formula
Molecular Weight
Base
C10H11NO3
193
HCl
C10H11NO3 . HCl
229
Latest Revision: 07/22/2014
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Melting Point ( oC)
Not Determined
210.8
Page 1 of 5
3,4-Methylenedioxycathinone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~10 mg/mL in deuterium oxide (D2O) containing TSP for 0 ppm
reference and maleic acid as quantitative internal standard.
Instrument:
Parameters:
400 MHz NMR spectrometer
Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
1
HNMR: 3,4-Methylenedioxycathinone HCl; Lot TAD21OCT93C; D2O 400MHz
HDO
10
9
8
7
6
5
4
maleic acid
3
2
TSP
1
0
1 1
1
7
2
1
6
1
7.68 7.67 7.66
5
1
7.47
Latest Revision: 07/22/2014
3
4
Chemical Shift
(ppm) 3
1
7.45
7.025
2
6.12 6.11
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2
1
1
5.125
0
3
1.600 1.575
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3,4-Methylenedioxycathinone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.2 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
DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µm
Column:
Carrier Gas:
Helium at 1 mL/min
Injector: 280oC
MSD transfer line: 280oC
MS Source: 230 oC
MS Quad: 150oC
Oven program:
1) 100oC initial temperature for 1.0 min
2) Ramp to 300 oC at 12 oC/min
3) Hold final temperature for 9.0 min
Split Ratio = 20:1, 1 µL injected
Temperatures:
Injection Parameters:
MS Parameters:
Mass scan range: 30-550 amu
Threshold: 100
Tune file: stune.u
Acquisition mode: scan
9.145 min
Retention Time:
4
Intensity [x 10 ]
44
EI Mass Spectrum: 3,4-Methylenedioxycathinone HCl; Lot TAD21OCT93C
5
4
3
40
60
Latest Revision: 07/22/2014
80
100
120
140
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160
180
193
177
135
121
74
91
93
63
65
EI+
53
39
1
149
2
m/z
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3,4-Methylenedioxycathinone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument:
Scan Parameters:
FTIR with diamond ATR attachment (3 bounce)
Number of scans: 32
Number of background scans: 32
Resolution: 4 cm-1
Sample gain: 8
Aperture: 150
3000
2500
2000
1500
Wavenumber (cm-1)
418
754
Latest Revision: 07/22/2014
833
1500
881
1600
928
60
1700
1039
1252
1446
1500
1678
65
1092
70
989
1117
75
509
717
1313
1605
80
590
%Transmittance
3500
418
60
1252
1446
1500
1678
65
1039
1092
70
754
833
881
928
989
1117
75
509
717
1313
1605
80
590
%Transmittance
FTIR ATR (Diamond, 3 Bounce): 3,4-Methylenedioxycathinone HCl; Lot TAD21OCT93C
1400
1300
1200
1100
1000
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900
800
700 Wavenumber (cm-1)
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3,4-Methylenedioxycathinone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
Dal Cason, T. The characterization of some 3,4-methylenedioxycathinone (MDCATH) homologs. Forensic
Science International 87(1997) 9-53
http://en.wikipedia.org/wiki/Methylenedioxycathinone
Wikipedia
Latest Revision: 07/22/2014
SWGDRUG.org/monographs.htm
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