-phenyl fentanyl - swgdrug
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'-Phenyl fentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 6/12/2019 Page 1 of 4SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
N-(1-phenethylpiperidin-4-yl)-N-3-diphenylpropanamide
79279-02-0
3-phenylpropanoyl fentanyl, hydrocinnamoyl fentanyl,N,3-diphenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
DEA Reference Material Collection
White powder
Not determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C28H32N2O 412.57 Not Determined
HCl C28H32N2O HCl 449.03 Not Determined
N
N
O
'-Phenyl fentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 6/12/2019 Page 2 of 4SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~11 mg/mL in CDCl3 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: '-Phenyl fentanyl; LOT # 0519541-4; CDCl3; 400MHz
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
224222212283
CDCl3 BTMSB
TMS
impurity (CH2Cl2) H2O
7.30 7.25 7.20 7.15
83
7.0507.025
2
6.875
2
4.700
1
3.00 2.75 2.50
2222
2.20
4
1.75
2
1.40
2
CDCl3 H2O
'-Phenyl fentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 6/12/2019 Page 3 of 4SWGDRUG.org/monographs.htm
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 30.0 min
Injection Parameters: MS Parameters: Threshold: 150
Acquisition mode: scanRetention Time:
Split Ratio = 25:1, 1 L injected Mass scan range: 30-550 amu Tune file: stune.u 26.343 min
EI Mass Spectrum: '-Phenyl fentanyl; LOT # 0519541-4
m/z40035030025020015010050
[x 1
05 ]In
tens
ity
0
0.5
1.0
1.5
2.0
2.5
3.0
3.5
4.0
4.5
5.0
5.5
42424242424242424242424242424242424242424242
55555555555555555555555555555555555555555555
77777777777777777777777777777777777777777777
91919191919191919191919191919191919191919191105105105105105105105105105105105105105105105105105105105105105105
132132132132132132132132132132132132132132132132132132132132132132
146146146146146146146146146146146146146146146146146146146146146146
158158158158158158158158158158158158158158158158158158158158158158167167167167167167167167167167167167167167167167167167167167167167
189189189189189189189189189189189189189189189189189189189189189189
208208208208208208208208208208208208208208208208208208208208208208225225225225225225225225225225225225225225225225225225225225225225 278278278278278278278278278278278278278278278278278278278278278278
292292292292292292292292292292292292292292292292292292292292292292
321321321321321321321321321321321321321321321321321321321321321321
410410410410410410410410410410410410410410410410410410410410410410
'-Phenyl fentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 6/12/2019 Page 4 of 4SWGDRUG.org/monographs.htm
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): '-Phenyl fentanyl; LOT # 0519541-4
Wavenumber (cm-1)3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
40
48
56
64
72
513513513513513513513513513513513513513513513513513513513513513513
605605605605605605605605605605605605605605605605605605605605605605
696696696696696696696696696696696696696696696696696696696696696696
705705705705705705705705705705705705705705705705705705705705705705
747747747747747747747747747747747747747747747747747747747747747747
7827827827827827827827827827827827827827827827827827827827827827821079
1079107910791079107910791079107910791079107910791079107910791079107910791079107910791134113411341134113411341134113411341134113411341134113411341134113411341134113411341134
1229122912291229122912291229122912291229122912291229122912291229122912291229122912291229
1304130413041304130413041304130413041304130413041304130413041304130413041304130413041304
13971397139713971397139713971397139713971397139713971397139713971397139713971397139713971498
149814981498149814981498149814981498149814981498149814981498149814981498149814981498
1594159415941594159415941594159415941594159415941594159415941594159415941594159415941594
1645164516451645164516451645164516451645164516451645164516451645164516451645164516451645
275927592759275927592759275927592759275927592759275927592759275927592759275927592759275927852785278527852785278527852785278527852785278527852785278527852785278527852785278527852805280528052805280528052805280528052805280528052805280528052805280528052805280528052805
2860286028602860286028602860286028602860286028602860286028602860286028602860286028602860
29242924292429242924292429242924292429242924292429242924292429242924292429242924292429242939
293929392939293929392939293929392939293929392939293929392939293929392939293929392939
2955295529552955295529552955295529552955295529552955295529552955295529552955295529552955
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3058305830583058305830583058305830583058305830583058305830583058305830583058305830583058
Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
40
48
56
64
72
435435435435435435435435435435435435435435435435435435435435435435463
463463463463463463463463463463463463463463463463463463463463463
481481481481481481481481481481481481481481481481481481481481481481
497497497497497497497497497497497497497497497497497497497497497497
513513513513513513513513513513513513513513513513513513513513513513
549549549549549549549549549549549549549549549549549549549549549549
562562562562562562562562562562562562562562562562562562562562562562
605605605605605605605605605605605605605605605605605605605605605605
622622622622622622622622622622622622622622622622622622622622622622
654654654654654654654654654654654654654654654654654654654654654654
696696696696696696696696696696696696696696696696696696696696696696
705705705705705705705705705705705705705705705705705705705705705705
747747747747747747747747747747747747747747747747747747747747747747
759759759759759759759759759759759759759759759759759759759759759759
782782782782782782782782782782782782782782782782782782782782782782
840840840840840840840840840840840840840840840840840840840840840840908
908908908908908908908908908908908908908908908908908908908908908
932932932932932932932932932932932932932932932932932932932932932932
965965965965965965965965965965965965965965965965965965965965965965
9819819819819819819819819819819819819819819819819819819819819819811028
102810281028102810281028102810281028102810281028102810281028102810281028102810281028
1044104410441044104410441044104410441044104410441044104410441044104410441044104410441044
1079107910791079107910791079107910791079107910791079107910791079107910791079107910791079
1099109910991099109910991099109910991099109910991099109910991099109910991099109910991099
1123112311231123112311231123112311231123112311231123112311231123112311231123112311231123
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1143114311431143114311431143114311431143114311431143114311431143114311431143114311431143
11531153115311531153115311531153115311531153115311531153115311531153115311531153115311531209
120912091209120912091209120912091209120912091209120912091209120912091209120912091209
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1304130413041304130413041304130413041304130413041304130413041304130413041304130413041304
1349134913491349134913491349134913491349134913491349134913491349134913491349134913491349
1368136813681368136813681368136813681368136813681368136813681368136813681368136813681368
13771377137713771377137713771377137713771377137713771377137713771377137713771377137713771397139713971397139713971397139713971397139713971397139713971397139713971397139713971397
14121412141214121412141214121412141214121412141214121412141214121412141214121412141214121452
145214521452145214521452145214521452145214521452145214521452145214521452145214521452
1466146614661466146614661466146614661466146614661466146614661466146614661466146614661466
1498149814981498149814981498149814981498149814981498149814981498149814981498149814981498
1594159415941594159415941594159415941594159415941594159415941594159415941594159415941594
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