Upload
hoangngoc
View
228
Download
9
Embed Size (px)
Citation preview
N-EthylpentyloneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/16/2016 Page 1 of 5SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
1-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino)pentan-1-one
17763-02-9 (HCl)
Ephylone
DEA Reference Material Collection
Off-white Powder (HCl)
Not determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C14H19NO3 249.31 Not Determined
HCl C14H19NO3 HCl 285.77 Not Determined
O
NH CH3
CH3
O
O
N-EthylpentyloneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/16/2016 Page 2 of 5SWGDRUG.org/monographs.htm
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~16 mg/mL in D2O containing TMS for 0 ppm reference and maleic acid as quantitative internal standard.
Instrument:Parameters:
600 MHz NMR spectrometer Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o
Delay between pulses: 45 seconds
1HNMR: N-Ethylpentylone HCl; LOT # 0459051-33; D2O; 600MHz
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
352212111
7.71 7.69
1
7.47
1
7.025
1
6.14 6.13 6.12
2
5.075
1
3.20 3.10
2
2.00 1.95
2
1.3 1.2
5
0.850
3
maleic acid HDO
TSP
N-EthylpentyloneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/16/2016 Page 3 of 5SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~3 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 µmCarrier 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 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 150
Tune file: stune.u Acquisition mode: scanRetention Time: 10.864 min
EI Mass Spectrum: N-Ethylpentylone HCl; LOT# 0459051-33
m/z240220200180160140120100806040
[x 1
06 ]In
tens
ity
0.5
1.0
30303030303030303030303030303030303030303030 5858585858585858585858585858585858585858585863636363636363636363636363636363636363636363
65656565656565656565656565656565656565656565707070707070707070707070707070707070707070707171717171717171717171717171717171717171717172727272727272727272727272727272727272727272 8484848484848484848484848484848484848484848498989898989898989898989898989898989898989898
99999999999999999999999999999999999999999999
100100100100100100100100100100100100100100100100100100100100100100
101101101101101101101101101101101101101101101101101101101101101101102102102102102102102102102102102102102102102102102102102102102102
119119119119119119119119119119119119119119119119119119119119119119120120120120120120120120120120120120120120120120120120120120120120
121121121121121121121121121121121121121121121121121121121121121121122122122122122122122122122122122122122122122122122122122122122122
122122122122122122122122122122122122122122122122122122122122122122
135135135135135135135135135135135135135135135135135135135135135135
147147147147147147147147147147147147147147147147147147147147147147
149149149149149149149149149149149149149149149149149149149149149149150150150150150150150150150150150150150150150150150150150150150150
176176176176176176176176176176176176176176176176176176176176176176177177177177177177177177177177177177177177177177177177177177177177178178178178178178178178178178178178178178178178178178178178178178 206206206206206206206206206206206206206206206206206206206206206206
m/z240220200180160140120100806040
[x 1
05 ]In
tens
ity
0.5
1.0
30303030303030303030303030303030303030303030
4141414141414141414141414141414141414141414142424242424242424242424242424242424242424242
45
5151515151515151515151515151515151515151515153535353535353535353535353535353535353535353
55
56565656565656565656565656565656565656565656
58585858585858585858585858585858585858585858
65656565656565656565656565656565656565656565
707070707070707070707070707070707070707070707171717171717171717171717171717171717171717172727272727272727272727272727272727272727272
77777777777777777777777777777777777777777777
91919191919191919191919191919191919191919191
9898989898989898989898989898989898989898989899999999999999999999999999999999999999999999
100100100100100100100100100100100100100100100100100100100100100100
101101101101101101101101101101101101101101101101101101101101101101
102102102102102102102102102102102102102102102102102102102102102102103103103103103103103103103103103103103103103103103103103103103103
119119119119119119119119119119119119119119119119119119119119119119120120120120120120120120120120120120120120120120120120120120120120
121121121121121121121121121121121121121121121121121121121121121121
122122122122122122122122122122122122122122122122122122122122122122135135135135135135135135135135135135135135135135135135135135135135
135135135135135135135135135135135135135135135135135135135135135135
147147147147147147147147147147147147147147147147147147147147147147148148148148148148148148148148148148148148148148148148148148148148
149149149149149149149149149149149149149149149149149149149149149149
149149149149149149149149149149149149149149149149149149149149149149150150150150150150150150150150150150150150150150150150150150150150
176176176176176176176176176176176176176176176176176176176176176176 177177177177177177177177177177177177177177177177177177177177177177178178178178178178178178178178178178178178178178178178178178178178
206206206206206206206206206206206206206206206206206206206206206206
250
250
8439
N-EthylpentyloneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 5Latest Revision: 9/16/2016 SWGDRUG.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-Ethylpentylone HCl; LOT# 0459051-33
Wavenumber (cm-1)1760 1680 1600 1520 1440 1360 1280 1200 1120 1040 960 880 800 720 640
%Tr
ansm
ittan
ce
32
40
48
56
64
72
80 419419419419419419419419419419419419419419419419419419419419419419451
451451451451451451451451451451451451451451451451451451451451451
486486486486486486486486486486486486486486486486486486486486486486
523523523523523523523523523523523523523523523523523523523523523523
578578578578578578578578578578578578578578578578578578578578578578
722722722722722722722722722722722722722722722722722722722722722722
749749749749749749749749749749749749749749749749749749749749749749
768768768768768768768768768768768768768768768768768768768768768768
799799799799799799799799799799799799799799799799799799799799799799
808808808808808808808808808808808808808808808808808808808808808808
840840840840840840840840840840840840840840840840840840840840840840
866866866866866866866866866866866866866866866866866866866866866866
879879879879879879879879879879879879879879879879879879879879879879
932932932932932932932932932932932932932932932932932932932932932932
949949949949949949949949949949949949949949949949949949949949949949
974974974974974974974974974974974974974974974974974974974974974974
1035103510351035103510351035103510351035103510351035103510351035103510351035103510351035
1091109110911091109110911091109110911091109110911091109110911091109110911091109110911091
11061106110611061106110611061106110611061106110611061106110611061106110611061106110611061118
111811181118111811181118111811181118111811181118111811181118111811181118111811181118
11521152115211521152115211521152115211521152115211521152115211521152115211521152115211521195
119511951195119511951195119511951195119511951195119511951195119511951195119511951195
1252125212521252125212521252125212521252125212521252125212521252125212521252125212521252
13541354135413541354135413541354135413541354135413541354135413541354135413541354135413541380138013801380138013801380138013801380138013801380138013801380138013801380138013801380
1434143414341434143414341434143414341434143414341434143414341434143414341434143414341434
1451145114511451145114511451145114511451145114511451145114511451145114511451145114511451
1470147014701470147014701470147014701470147014701470147014701470147014701470147014701470
15051505150515051505150515051505150515051505150515051505150515051505150515051505150515051557
155715571557155715571557155715571557155715571557155715571557155715571557155715571557
1604160416041604160416041604160416041604160416041604160416041604160416041604160416041604
1666166616661666166616661666166616661666166616661666166616661666166616661666166616661666
Wavenumber (cm-1)3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
32
40
48
56
64
72 523523523523523523523523523523523523523523523523523523523523523523
749749749749749749749749749749749749749749749749749749749749749749
932932932932932932932932932932932932932932932932932932932932932932
1035103510351035103510351035103510351035103510351035103510351035103510351035103510351035
1118111811181118111811181118111811181118111811181118111811181118111811181118111811181118
1252125212521252125212521252125212521252125212521252125212521252125212521252125212521252
1451145114511451145114511451145114511451145114511451145114511451145114511451145114511451
1557155715571557155715571557155715571557155715571557155715571557155715571557155715571557
1604160416041604160416041604160416041604160416041604160416041604160416041604160416041604
1666166616661666166616661666166616661666166616661666166616661666166616661666166616661666
2439243924392439243924392439243924392439243924392439243924392439243924392439243924392439
2500250025002500250025002500250025002500250025002500250025002500250025002500250025002500
2685268526852685268526852685268526852685268526852685268526852685268526852685268526852685
2963296329632963296329632963296329632963296329632963296329632963296329632963296329632963
N-EthylpentyloneThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 9/16/2016 Page 5 of 5SWGDRUG.org/monographs.htm
4. ADDITIONAL RESOURCES
No additional resources as of 09/2016