MAB-CHMINACA - SWGDRUG · 2016. 9. 8. · Form ChemicalMolecularoC) Formula Weight Melting Point (Base C21H30N4O2370141.5 N N O NH O 2NH 3CH CH3 CH3. MAB-CHMINACA The Drug Enforcement

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




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



50


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



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




https://en.wikipedia.org/wiki/ADB-CHMINACA

http://forendex.southernforensic.org/index.php/detail/index/1292

4. ADDITIONAL RESOURCES

Wikipedia

Forendex

Documents

MAB-CHMINACA - SWGDRUG · 2016. 9. 8. · Form ChemicalMolecularoC) Formula Weight Melting Point (Base C21H30N4O2370141.5 N N O NH O 2NH 3CH CH3 CH3. MAB-CHMINACA The Drug Enforcement