O CH3 - SWGDRUG · 2018. 10. 1. · N-Methylnorfentanyl The Drug Enforcement Administration's...
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N-Methylnorfentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Latest Revision: 9/26/2018 Page 1 of 4 SWGDRUG.org/monographs.htm 1. GENERAL INFORMATION IUPAC Name: CAS#: Synonyms: Source: Appearance: UV max (nm): 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 15 H 22 N 2 O 246.35 Not Determined HCl C 15 H 22 N 2 O HCl 282.81 Not Determined N N O CH 3 CH 3 N-(1-methylpiperidin-4-yl)-N-phenylpropionamide NA NA DEA Reference Material Collection Beige powder Not determined
Transcript of O CH3 - SWGDRUG · 2018. 10. 1. · N-Methylnorfentanyl The Drug Enforcement Administration's...
N-MethylnorfentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/26/2018 Page 1 of 4SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C15H22N2O 246.35 Not Determined
HCl C15H22N2O HCl 282.81 Not Determined
N
N
O
CH3
CH3
N-(1-methylpiperidin-4-yl)-N-phenylpropionamide
NA
NA
DEA Reference Material Collection
Beige powder
Not determined
N-MethylnorfentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/26/2018 Page 2 of 4SWGDRUG.org/monographs.htm
3. QUALITATIVEDATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~16 mg/mL in methanol-d4 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: N-Methylnorfentanyl HCl; Lot # N18-P78C; CD3OD; 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
3222322123
dimethylfumarate
methanol-d4
methanol-d4
TMS
7.525 7.475
3
7.250
2
4.854.804.75
1
3.525
2
3.20
2
2.81
3
2.1 2.0
22
1.75 1.65
2
1.000
3
CD3OD
N-MethylnorfentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/26/2018 Page 3 of 4SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~8 mg/2 mL in CHCl3/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
Tune file: stune.u Threshold: 250 Acquisition mode: scan
Retention Time: 11.178 min
EI Mass Spectrum: N-Methylnorfentanyl HCl; Lot # N18-P78C
m/z240220200180160140120100806040
[x 1
06 ]In
tens
ity
0
0.5
1.0
1.5
42424242424242424242424242424242424242424242
444444444444444444444444444444444444444444445555555555555555555555555555555555555555555557575757575757575757575757575757575757575757
68686868686868686868686868686868686868686868
70707070707070707070707070707070707070707070
77777777777777777777777777777777777777777777
82828282828282828282828282828282828282828282
96969696969696969696969696969696969696969696
97979797979797979797979797979797979797979797
98989898989898989898989898989898989898989898
104104104104104104104104104104104104104104104104104104104104104104118118118118118118118118118118118118118118118118118118118118118118
130130130130130130130130130130130130130130130130130130130130130130132
146146146146146146146146146146146146146146146146146146146146146146
158158158158158158158158158158158158158158158158158158158158158158
173173173173173173173173173173173173173173173173173173173173173173
189189189189189189189189189189189189189189189189189189189189189189
190190190190190190190190190190190190190190190190190190190190190190
217217217217217217217217217217217217217217217217217217217217217217246
247247247247247247247247247247247247247247247247247247247247247247
N-MethylnorfentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/26/2018 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): N-Methylnorfentanyl HCl; Lot # N18-P78C
Wavenumber (cm-1)3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
32
40
48
56
64
72
405405405405405405405405405405405405405405405405405405405405405405
551551551551551551551551551551551551551551551551551551551551551551
698698698698698698698698698698698698698698698698698698698698698698709
709709709709709709709709709709709709709709709709709709709709709
963963963963963963963963963963963963963963963963963963963963963963
1044104410441044104410441044104410441044104410441044104410441044104410441044104410441044
1266126612661266126612661266126612661266126612661266126612661266126612661266126612661266
1377137713771377137713771377137713771377137713771377137713771377137713771377137713771377
1396139613961396139613961396139613961396139613961396139613961396139613961396139613961396
1644164416441644164416441644164416441644164416441644164416441644164416441644164416441644
2525252525252525252525252525252525252525252525252525252525252525252525252525252525252525
2641264126412641264126412641264126412641264126412641264126412641264126412641264126412641
2666266626662666266626662666266626662666266626662666266626662666266626662666266626662666
2939293929392939293929392939293929392939293929392939293929392939293929392939293929392939
2978297829782978297829782978297829782978297829782978297829782978297829782978297829782978
31653165316531653165316531653165316531653165316531653165316531653165316531653165316531653427
342734273427342734273427342734273427342734273427342734273427342734273427342734273427
Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
32
40
48
56
64
72
405405405405405405405405405405405405405405405405405405405405405405
453453453453453453453453453453453453453453453453453453453453453453486
486486486486486486486486486486486486486486486486486486486486486
551551551551551551551551551551551551551551551551551551551551551551
575575575575575575575575575575575575575575575575575575575575575575
621621621621621621621621621621621621621621621621621621621621621621666
666666666666666666666666666666666666666666666666666666666666666
698698698698698698698698698698698698698698698698698698698698698698709
709709709709709709709709709709709709709709709709709709709709709
745745745745745745745745745745745745745745745745745745745745745745
776776776776776776776776776776776776776776776776776776776776776776
791791791791791791791791791791791791791791791791791791791791791791809809809809809809809809809809809809809809809809809809809809809809
855855855855855855855855855855855855855855855855855855855855855855
941941941941941941941941941941941941941941941941941941941941941941
963963963963963963963963963963963963963963963963963963963963963963
10061006100610061006100610061006100610061006100610061006100610061006100610061006100610061022102210221022102210221022102210221022102210221022102210221022102210221022102210221022
1044104410441044104410441044104410441044104410441044104410441044104410441044104410441044
1074107410741074107410741074107410741074107410741074107410741074107410741074107410741074
11051105110511051105110511051105110511051105110511051105110511051105110511051105110511051176
117611761176117611761176117611761176117611761176117611761176117611761176117611761176
1248124812481248124812481248124812481248124812481248124812481248124812481248124812481248
1266126612661266126612661266126612661266126612661266126612661266126612661266126612661266
1319131913191319131913191319131913191319131913191319131913191319131913191319131913191319
1377137713771377137713771377137713771377137713771377137713771377137713771377137713771377
1396139613961396139613961396139613961396139613961396139613961396139613961396139613961396
14521452145214521452145214521452145214521452145214521452145214521452145214521452145214521472
1472147214721472147214721472147214721472147214721472147214721472147214721472147214721494
149414941494149414941494149414941494149414941494149414941494149414941494149414941494
1594159415941594159415941594159415941594159415941594159415941594159415941594159415941594
1644164416441644164416441644164416441644164416441644164416441644164416441644164416441644
