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MT-45 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 11/26/2014 N N 1. GENERAL INFORMATION IUPAC Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine CAS#: 41537-67-1 Synonyms: NSC 299236, IC-6 Source: DEA Reference Material Collection Appearance: White powder (diHCl) 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 24 H 32 N 2 348 Not Determined diHCl C 24 H 32 N 2 . 2HCl 421 Not Determined

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Page 1: MT-45 - SWGDRUG

MT-45The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 11/26/2014

N

N

1. GENERAL INFORMATION

IUPAC Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine

CAS#: 41537-67-1

Synonyms: NSC 299236, IC-6

Source: DEA Reference Material Collection

Appearance: White powder (diHCl)

UVmax(nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C24H32N2 348 Not Determined

diHCl C24H32N2. 2HCl 421 Not Determined

Page 2: MT-45 - SWGDRUG

MT-45The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 11/26/2014

1H NMR: MT-45 diHCl Lot # 0450699-5; D2O; 400MHz

8 7 6 5 4 3 2 1 0

0

0.5

1.0

1.5

2.0

141221255

TSP

HDOMaleic Acid

2.00 1.75 1.50 1.25

0

0.05

0.10

0.15

14122

7.4 7.3 7.2 7.1

00.51.0

1.52.0

55

3.75 3.50

00.050.10

0.150.20

12 12

3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~10 mg/mL in D2O containing TSP for 0 ppm reference and maleicacid 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

Page 3: MT-45 - SWGDRUG

MT-45The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 11/26/2014

3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte ~4 mg/mL in methanol.

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: 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 minInjection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 16.433 min

EI Mass Spectrum: MT-45 diHCl Lot # 0450699-5

m/z30025020015010050

[x 1

05 ]In

tens

ity

1

2

3

4

5

414141 4141414141 4141414141 4141414141 41414141

555555 5555555555 5555555555 5555555555 55555555656565 6565656565 6565656565 6565656565 65656565 777777 7777777777 7777777777 7777777777 77777777 838383 8383838383 8383838383 8383838383 83838383

919191 9191919191 9191919191 9191919191 9191919110

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348EI+

Page 4: MT-45 - SWGDRUG

MT-45The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 11/26/2014

3.3 INFRARED SPECTROSCOPY (FTIR)

Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 8Aperture: 150

FTIR ATR (Diamond, 3 Bounce): MT-45 diHCl Lot # 0450699-5

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

55

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65

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459459459459459459459459459459459459459459459459459459459459459459

534534534534534534534534534534534534534534534534534534534534534534559559559559559559559559559559559559559559559559559559559559559559

646646646646646646646646646646646646646646646646646646646646646646

700700700700700700700700700700700700700700700700700700700700700700

760760760760760760760760760760760760760760760760760760760760760760

920920920920920920920920920920920920920920920920920920920920920920

9319319319319319319319319319319319319319319319319319319319319319311072107210721072107210721072107210721072107210721072107210721072107210721072107210721072

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2937293729372937293729372937293729372937293729372937293729372937293729372937293729372937

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

%Tr

ansm

ittan

ce

55

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471471471471471471471471471471471471471471471471471471471471471471482482482482482482482482482482482482482482482482482482482482482482507507507507507507507507507507507507507507507507507507507507507507

534534534534534534534534534534534534534534534534534534534534534534559559559559559559559559559559559559559559559559559559559559559559

646646646646646646646646646646646646646646646646646646646646646646

700700700700700700700700700700700700700700700700700700700700700700

746746746746746746746746746746746746746746746746746746746746746746760760760760760760760760760760760760760760760760760760760760760760

920920920920920920920920920920920920920920920920920920920920920920

931931931931931931931931931931931931931931931931931931931931931931

10301030103010301030103010301030103010301030103010301030103010301030103010301030103010301072

107210721072107210721072107210721072107210721072107210721072107210721072107210721072

1275127512751275127512751275127512751275127512751275127512751275127512751275127512751275

13961396139613961396139613961396139613961396139613961396139613961396139613961396139613961433

143314331433143314331433143314331433143314331433143314331433143314331433143314331433

1456145614561456145614561456145614561456145614561456145614561456145614561456145614561456

Page 5: MT-45 - SWGDRUG

MT-45The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 11/26/2014

http://en.wikipedia.org/wiki/MT-45

4. ADDITIONAL RESOURCES

Wikipedia


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