MAB-CHMINACA The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Latest Revision: 9/6/2016 Page 1 of 5 SWGDRUG.org/monographs.htm 1. GENERAL INFORMATION IUPAC Name: CAS#: N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)- 1H-indazole-3-carboxamide 1185887-13-1 Synonyms: ADB-CHMINACA Source: DEA Reference Material Collection Appearance: White powder UV max (nm): Not determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 21 H 30 N 4 O 2 370 141.5 N N O NH O N H 2 C H 3 CH 3 CH 3
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MAB-CHMINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 1 of 5SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)- 1H-indazole-3-carboxamide1185887-13-1
Synonyms: ADB-CHMINACA
Source: DEA Reference Material Collection
Appearance: White powder
UVmax(nm): Not determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C21H30N4O2 370 141.5
N
NO
NHO
NH2CH3
CH3
CH3
MAB-CHMINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 2 of 5SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~5 mg/mL in DMSO-d6 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 seconds
1HNMR: MAB-CHMINACA; Lot# 0466513-1; DMSO-d6; 400MHz
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0
145121211111
8.175
1
7.80
11
7.575
1
7.475
1
7.275
2
4.475
1
4.350
2
2.00 1.90
1
1.7 1.6 1.5
5
1.2 1.1 1.0
14
dimethylfumarate
H2O DMSO
TMS
MAB-CHMINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
50
Latest Revision: 9/6/2016 Page 3 of 5SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~5 mg/mL in CHCl3
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 0.6 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC
MS Source: 230oC MS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 300oC 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: 150
Tune file: stune.u Acquisition mode: scanRetention Time: 20.35 min
EI Mass Spectrum: MAB-CHMINACA; Lot# 0466513-1
m/z350300250200150100
[x 1
05 ]In
tens
ity
0.5
1.0
370370370370370370370370370370370370370370370370370370370370370370355355355355355355355355355355355355355355355355355355355355355355338338338338338338338338338338338338338338338338338338338338338338
328328328328328328328328328328328328328328328328328328328328328328
327327327327327327327327327327327327327327327327327327327327327327
326326326326326326326326326326326326326326326326326326326326326326
314314314314314314314314314314314314314314314314314314314314314314298
297297297297297297297297297297297297297297297297297297297297297297
296296296296296296296296296296296296296296296296296296296296296296
287287287287287287287287287287287287287287287287287287287287287287271271271271271271271271271271271271271271271271271271271271271271270270270270270270270270270270270270270270270270270270270270270270
258258258258258258258258258258258258258258258258258258258258258258
242242242242242242242242242242242242242242242242242242242242242242241241241241241241241241241241241241241241241241241241241241241241
214214214214214214214214214214214214214214214214214214214214214214213213213213213213213213213213213213213213213213213213213213213213
201201201201201201201201201201201201201201201201201201201201201201
1861861861861861861861861861861861861861861861861861861861861861861111111111111111111111174174174174174174174174174174174174174174174174174174174174174174158158158158158158158158158158158158158158158158158158158158158158157157157157157157157157157157157157157157157157157157157157157157
146146146146146146146146146146146146146146146146146146146146146146
145145145145145145145145145145145145145145145145145145145145145145
131131131131131131131131131131131131131131131131131131131131131131
131131131131131131131131131131131131131131131131131131131131131131130130130130130130130130130130130130130130130130130130130130130130
129129129129129129129129129129129129129129129129129129129129129129
118118118118118118118118118118118118118118118118118118118118118118
104104104104104104104104104104104104104104104104104104104104104104
103103103103103103103103103103103103103103103103103103103103103103
9090909090909090909090909090909090909090909086868686868686868686868686868686868686868686
57575757575757575757575757575757575757575757
55555555555555555555555555555555555555555555
4444444444444444444444444444444444444444444443434343434343434343434343434343434343434343
41414141414141414141414141414141414141414141
3939393939393939393939393939393939393939393929292929292929292929292929292929292929292929
m/z35030025020015010050
[x 1
05 ]In
tens
ity
2
4
370370370370370370370370370370370370370370370370370370370370370370355355355355355355355355355355355355355355355355355355355355355355338338338338338338338338338338338338338338338338338338338338338338
326326326326326326326326326326326326326326326326326326326326326326
314314314314314314314314314314314314314314314314314314314314314314297297297297297297297297297297297297297297297297297297297297297297
287287287287287287287287287287287287287287287287287287287287287287270270270270270270270270270270270270270270270270270270270270270270
258258258258258258258258258258258258258258258258258258258258258258
241241241241241241241241241241241241241241241241241241241241241241
230230230230230230230230230230230230230230230230230230230230230230
214214214214214214214214214214214214214214214214214214214214214214201201201201201201201201201201201201201201201201201201201201201201186186186186186186186186186186186186186186186186186186186186186186
174174174174174174174174174174174174174174174174174174174174174174158158158158158158158158158158158158158158158158158158158158158158
145145145145145145145145145145145145145145145145145145145145145145
131131131131131131131131131131131131131131131131131131131131131131117117117117117117117117117117117117117117117117117117117117117117103103103103103103103103103103103103103103103103103103103103103103
5555555555555555555555555555555555555555555541414141414141414141414141414141414141414141
MAB-CHMINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 5Latest Revision: 9/6/2016 SWGDRUG.org/monographs.htm
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
FTIR ATR (Diamond 1 Bounce): MAB-CHMINACA; Lot# 0466513-1
Wavenumber (cm-1)4000 3500 3000 2500 2000 1500 1000
70
75
80
85
90
95
100
3355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.673355.67
3184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.033184.03
2927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.542927.54
2854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.252854.25
1697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.12
1650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.84
1529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.34
1490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.77
1396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.41
1303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.63
1174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.49
1132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.06
1004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.77
825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42
777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2
748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28
653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78
607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49
570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85
431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99
Wavenumber (cm-1)1760 1680 1600 1520 1440 1360 1280 1200 1120 1040 960 880 800 720 640
70
75
80
85
90
95
100
1697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.121697.12
1650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.841650.84
1573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.71573.7
1529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.341529.34
1490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.771490.77
1477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271477.271448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.341448.34
1421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.341421.34
1396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271396.271365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.411365.41
1319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.131319.13
1303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.71303.7
1224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.631224.63
1189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.911189.91
1174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.491174.49
1160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.991160.99
1132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.061132.06
1101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.21101.2
1072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.271072.27
1033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.71033.7 1004.77
1004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.771004.77
960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42960.42948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85948.85933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42933.42
896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77896.77
846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63846.63
825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42825.42 786.85
786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85786.85
777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2777.2
748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28748.28
738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63738.63674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99674.99663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42663.42653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78653.78
607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49607.49
586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28586.28570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85570.85
532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28532.28
503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35503.35
455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14455.14445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49445.49 431.99
431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99431.99418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49418.49
MAB-CHMINACAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/6/2016 Page 5 of 5SWGDRUG.org/monographs.htm
https://en.wikipedia.org/wiki/ADB-CHMINACA
http://forendex.southernforensic.org/index.php/detail/index/1292
4. ADDITIONAL RESOURCES
Wikipedia
Forendex
Related Documents
