despropionyl meta-fluorofentanyl - swgdrug › monographs › despropionyl meta-fluorofentanyl.pdfei...

Despropionyl meta-fluorofentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Latest Revision: 2/11/2019 Page 1 of 4SWGDRUG.org/monographs.htm

1. GENERAL INFORMATION

IUPAC Name: N-(3-fluorophenyl)-1-phenethylpiperidin-4-amine

CAS#: 416881-38-4

Synonyms: Despropionyl 3-FF, Despropionyl m-FF, Despropionyl 3-fluorofentanyl, Despropionyl m-fluorofentanyl, N-(3-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine

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 C19H23FN2 298.40 Not Determined

HCl C19H23FN2 HCl 334.86 Not Determined

NH

N

F




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~11 mg/mL in methanol-d4 containing TMS for 0 ppm reference and 1,4-BTMSB-d4 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: Despropionyl meta-fluorofentanyl; Lot# 0534823-2; methanol-d4; 400MHz

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

222222111115

7.25 7.20

5

7.025

1

6.40 6.35 6.30 6.25

111

3.300

1

3.025

2

2.825

2

2.625

2

2.275

2

2.050

2

1.55

2

CD3OD

CD3ODBTMSB

TMS




3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte ~4 mg/mL in MeOH

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 mCarrier Gas: Helium at 1.5 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 280oC at 12 oC/min3) Hold final temperature for 9.0 min

Injection Parameters: Split Ratio = 25:1, 1 L injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 150

Tune file: stune.u Acquisition mode: scanRetention Time: 15.04 min

EI Mass Spectrum: Despropionyl meta-fluorofentanyl; Lot# 0534823-2

m/z280260240220200180160140120100806040

[x 1

06]

Inte

nsity

0

0.5

1.0

1.5

2.0

2.5

30303030303030303030303030303030303030303030

42424242424242424242424242424242424242424242

44444444444444444444444444444444444444444444

5656565656565656565656565656565656565656565670707070707070707070707070707070707070707070

7777777777777777777777777777777777777777777791919191919191919191919191919191919191919191

96969696969696969696969696969696969696969696 105105105105105105105105105105105105105105105105105105105105105105

122122122122122122122122122122122122122122122122122122122122122122124124124124124124124124124124124124124124124124124124124124124124

135135135135135135135135135135135135135135135135135135135135135135

136136136136136136136136136136136136136136136136136136136136136136

148148148148148148148148148148148148148148148148148148148148148148

150150150150150150150150150150150150150150150150150150150150150150

164164164164164164164164164164164164164164164164164164164164164164

165165165165165165165165165165165165165165165165165165165165165165

178178178178178178178178178178178178178178178178178178178178178178186186186186186186186186186186186186186186186186186186186186186186188188188188188188188188188188188188188188188188188188188188188188

207207207207207207207207207207207207207207207207207207207207207207

208208208208208208208208208208208208208208208208208208208208208208298298298298298298298298298298298298298298298298298298298298298298




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: 1Aperture: 150

FTIR ATR (Diamond 1 Bounce): Despropionyl meta-fluorofentanyl; Lot# 0534823-2

Wavenumber (cm-1)3500 3000 2500 2000 1500 1000

%Tr

ansm

ittan

ce

40

45

50

55

60

65

70

75

514514514514514514514514514514514514514514514514514514514514514514

685685685685685685685685685685685685685685685685685685685685685685

742742742742742742742742742742742742742742742742742742742742742742

8238238238238238238238238238238238238238238238238238238238238238231139

113911391139113911391139113911391139113911391139113911391139113911391139113911391139

1174117411741174117411741174117411741174117411741174117411741174117411741174117411741174

13351335133513351335133513351335133513351335133513351335133513351335133513351335133513351483

148314831483148314831483148314831483148314831483148314831483148314831483148314831483

1621162116211621162116211621162116211621162116211621162116211621162116211621162116211621

2733273327332733273327332733273327332733273327332733273327332733273327332733273327332733

2768276827682768276827682768276827682768276827682768276827682768276827682768276827682768

28092809280928092809280928092809280928092809280928092809280928092809280928092809280928092931

293129312931293129312931293129312931293129312931293129312931293129312931293129312931

3027302730273027302730273027302730273027302730273027302730273027302730273027302730273027

3115311531153115311531153115311531153115311531153115311531153115311531153115311531153115

3258325832583258325832583258325832583258325832583258325832583258325832583258325832583258

Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

40

45

50

55

60

65

70

75

403403403403403403403403403403403403403403403403403403403403403403

433433433433433433433433433433433433433433433433433433433433433433455455455455455455455455455455455455455455455455455455455455455455

486486486486486486486486486486486486486486486486486486486486486486514

514514514514514514514514514514514514514514514514514514514514514

588588588588588588588588588588588588588588588588588588588588588588

621621621621621621621621621621621621621621621621621621621621621621637

637637637637637637637637637637637637637637637637637637637637637

685685685685685685685685685685685685685685685685685685685685685685

699699699699699699699699699699699699699699699699699699699699699699742

742742742742742742742742742742742742742742742742742742742742742

763763763763763763763763763763763763763763763763763763763763763763

786786786786786786786786786786786786786786786786786786786786786786

823823823823823823823823823823823823823823823823823823823823823823

869869869869869869869869869869869869869869869869869869869869869869

908908908908908908908908908908908908908908908908908908908908908908

941941941941941941941941941941941941941941941941941941941941941941

960960960960960960960960960960960960960960960960960960960960960960

998998998998998998998998998998998998998998998998998998998998998998

10321032103210321032103210321032103210321032103210321032103210321032103210321032103210321053105310531053105310531053105310531053105310531053105310531053105310531053105310531053

1090109010901090109010901090109010901090109010901090109010901090109010901090109010901090

1113111311131113111311131113111311131113111311131113111311131113111311131113111311131113

1139113911391139113911391139113911391139113911391139113911391139113911391139113911391139

1174117411741174117411741174117411741174117411741174117411741174117411741174117411741174

1238123812381238123812381238123812381238123812381238123812381238123812381238123812381238

1267126712671267126712671267126712671267126712671267126712671267126712671267126712671267

1293129312931293129312931293129312931293129312931293129312931293129312931293129312931293

1335133513351335133513351335133513351335133513351335133513351335133513351335133513351335

1372137213721372137213721372137213721372137213721372137213721372137213721372137213721372

1442144214421442144214421442144214421442144214421442144214421442144214421442144214421442

1452145214521452145214521452145214521452145214521452145214521452145214521452145214521452

1483148314831483148314831483148314831483148314831483148314831483148314831483148314831483

149414941494149414941494149414941494149414941494149414941494149414941494149414941494149415331533153315331533153315331533153315331533153315331533153315331533153315331533153315331588

158815881588158815881588158815881588158815881588158815881588158815881588158815881588

16121612161216121612161216121612161216121612161216121612161216121612161216121612161216121621

162116211621162116211621162116211621162116211621162116211621162116211621162116211621

despropionyl meta-fluorofentanyl - swgdrug › monographs › despropionyl meta-fluorofentanyl.pdfei...

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