o ch nh ch3 cl - swgdrug · 4-chloromethcathinone the drug enforcement administration's...
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4-ChloromethcathinoneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
ClCH3
NH
CH3O
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
1-(4-chlorophenyl)-2-(methylamino)propan-1-one
1225843-86-6
4-CMC, para-chloro-N-methyl-cathinone, clephedrone
DEA Reference Material Collection
White powder (HCl)
Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base 198 Not Determined
HCl C10H12ClNO . HCl 234 Not Determined
C10H12ClNO
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Page 1 of 5
4-ChloromethcathinoneThe 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 DMSO containing TMS for 0 ppm reference and dimethylfumarate as quantitative internal standard.
Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds1HNMR: 4-chloromethcathinone HCl Lot 0465311-20; DMSO; 400MHz
8 7 6 5 4 3 2 1 0
33122
from DMSOH2O
Dimethylfumarate
TMS
Dimethylfumarate
8.00 7.75
22
5.25 5.20 5.15 5.10
1
2.600 2.575
3
1.475 1.450 1.425
3
Latest Revision: 4/27/2016 SWGDRUG.org/monographs.htm Page 2 of 5
4-ChloromethcathinoneThe 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 ~3 mg/mL in 1:1 CHCl3:MeOH.
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-5 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC
MSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 25:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 7.313 minEI Mass Spectrum: 4-Chloromethcathinone HCl Lot 0465311-20
m/z180160140120100806040
[x 1
06 ]In
tens
ity
0.5
1.0
1.5
2.019
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
719
7
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
182
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
166
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
141
14113
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
913
9
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
125
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
111
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
110
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
102
858585 8585858585 8585858585 8585858585 85858585
757575 7575757575 7575757575 7575757575 75757575
585858 5858585858 5858585858 5858585858 58585858565656 5656565656 5656565656 5656565656 56565656
505050 5050505050 5050505050 5050505050 50505050424242 4242424242 4242424242 4242424242 42424242
323232 3232323232 3232323232 3232323232 32323232
Latest Revision: 4/27/2016 SWGDRUG.org/monographs.htm Page 3 of 5
4-ChloromethcathinoneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Instrument: FTIR with diamond ATR attachment (1 Bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 4Aperture: 80
FTIR ATR (Diamond, 1 Bounce): 4-Chloromethcathinone HCl Lot 0465311-20
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
56
64
72 2914291429142914291429142914291429142914291429142914291429142914291429142914291429142914
2698269826982698269826982698269826982698269826982698269826982698269826982698269826982698
1687168716871687168716871687168716871687168716871687168716871687168716871687168716871687
1588158815881588158815881588158815881588158815881588158815881588158815881588158815881588
1572157215721572157215721572157215721572157215721572157215721572157215721572157215721572
1471147114711471147114711471147114711471147114711471147114711471147114711471147114711471
1402140214021402140214021402140214021402140214021402140214021402140214021402140214021402
1297129712971297129712971297129712971297129712971297129712971297129712971297129712971297
1244124412441244124412441244124412441244124412441244124412441244124412441244124412441244
1205120512051205120512051205120512051205120512051205120512051205120512051205120512051205
1092109210921092109210921092109210921092109210921092109210921092109210921092109210921092
1005100510051005100510051005100510051005100510051005100510051005100510051005100510051005
977977977977977977977977977977977977977977977977977977977977977977 840
840840840840840840840840840840840840840840840840840840840840840
745745745745745745745745745745745745745745745745745745745745745745
682682682682682682682682682682682682682682682682682682682682682682
531531531531531531531531531531531531531531531531531531531531531531
472472472472472472472472472472472472472472472472472472472472472472
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
56
64
72
1687168716871687168716871687168716871687168716871687168716871687168716871687168716871687
1588158815881588158815881588158815881588158815881588158815881588158815881588158815881588
1572157215721572157215721572157215721572157215721572157215721572157215721572157215721572
1471147114711471147114711471147114711471147114711471147114711471147114711471147114711471
1455145514551455145514551455145514551455145514551455145514551455145514551455145514551455 1402
140214021402140214021402140214021402140214021402140214021402140214021402140214021402
1359135913591359135913591359135913591359135913591359135913591359135913591359135913591359
1297129712971297129712971297129712971297129712971297129712971297129712971297129712971297
1244124412441244124412441244124412441244124412441244124412441244124412441244124412441244
1205120512051205120512051205120512051205120512051205120512051205120512051205120512051205
1116111611161116111611161116111611161116111611161116111611161116111611161116111611161116
1092109210921092109210921092109210921092109210921092109210921092109210921092109210921092
1031103110311031103110311031103110311031103110311031103110311031103110311031103110311031
1012101210121012101210121012101210121012101210121012101210121012101210121012101210121012
1005100510051005100510051005100510051005100510051005100510051005100510051005100510051005
977977977977977977977977977977977977977977977977977977977977977977 840
840840840840840840840840840840840840840840840840840840840840840
745745745745745745745745745745745745745745745745745745745745745745
682682682682682682682682682682682682682682682682682682682682682682
531531531531531531531531531531531531531531531531531531531531531531
472472472472472472472472472472472472472472472472472472472472472472
409409409409409409409409409409409409409409409409409409409409409409
Latest Revision: 4/27/2016 SWGDRUG.org/monographs.htm Page 4 of 5
4-ChloromethcathinoneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
http://en.wikipedia.org/wiki/4-Chloromethcathinone
4. ADDITIONAL RESOURCES
Wikipedia
Latest Revision: 4/27/2016 SWGDRUG.org/monographs.htm Page 5 of 5