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N-Ethylpentylone The 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 5 SWGDRUG.org/monographs.htm 1. GENERAL INFORMATION IUPAC Name: CAS#: Synonyms: Source: Appearance: UV max (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 ( o C) Base C 14 H 19 NO 3 249.31 Not Determined HCl C 14 H 19 NO 3 HCl 285.77 Not Determined O NH CH 3 CH 3 O O

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Page 1: N-Ethylpentylone - SWGDRUG Home · PDF file · 2016-10-181-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino) ... (or equivalent); 30m x 0.25 mm x 0.25 Carrier Gas: Helium at 1.5 mL/min Temperatures:

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

Page 2: N-Ethylpentylone - SWGDRUG Home · PDF file · 2016-10-181-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino) ... (or equivalent); 30m x 0.25 mm x 0.25 Carrier Gas: Helium at 1.5 mL/min Temperatures:

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

Page 3: N-Ethylpentylone - SWGDRUG Home · PDF file · 2016-10-181-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino) ... (or equivalent); 30m x 0.25 mm x 0.25 Carrier Gas: Helium at 1.5 mL/min Temperatures:

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

Page 4: N-Ethylpentylone - SWGDRUG Home · PDF file · 2016-10-181-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino) ... (or equivalent); 30m x 0.25 mm x 0.25 Carrier Gas: Helium at 1.5 mL/min Temperatures:

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

Page 5: N-Ethylpentylone - SWGDRUG Home · PDF file · 2016-10-181-(2H-1,3-benzodioxol-5-yl)-2-(ethylamino) ... (or equivalent); 30m x 0.25 mm x 0.25 Carrier Gas: Helium at 1.5 mL/min Temperatures:

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


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