N-ethyl Heptedrone

The Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

CH3
O
NH

CH3

1. GENERAL INFORMATION

IUPAC Name: 2-(ethylamino)-1-phenylheptan-1-one

CAS#: NA

Synonyms: NA

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 C15H23NO 233.35 Not Determined

HCl C15H23NO HCl 269.81 184.79

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 N-ethyl Heptedrone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.

3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~12 mg/mL in D2O containing TSP for 0 ppm reference and maleic
acid as quantitative internal standard.

Instrument: 400 MHz NMR spectrometer

Parameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
1
HNMR: N-ethyl Heptedrone HCl; Lot# 0558865-11; D2O; 400MHz
HDO

maleic acid

TSP

2 1 2 1 2 2 9 3

8.0 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

2 1 2 1 2 2 9 3

8.025 7.800 7.775 7.625 5.200 5.175 3.20 3.15 3.10 2.05 2.00 1.3 1.2 0.750

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 N-ethyl Heptedrone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.

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 detector

Column: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 m
Carrier Gas: Helium at 1.5 mL/min
Temperatures: Injector: 280oC MSD transfer line: 280oC
MS Source: 230oC MS Quad: 150oC
Oven program:
1) 100oC initial temperature for 1.0 min
2) Ramp to 280oC at 12 oC/min
3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 25:1, 1 L injected
MS Parameters: Mass scan range: 30-550 amu Threshold: 250
Tune file: stune.u Acquisition mode: scan
Retention Time: 8.86 min

EI Mass Spectrum: N-ethyl Heptedrone HCl; Lot# 0558865-11

128
128
Intensity [x 10 ]
6

2
44 58
44 77
77 129
129
41
41 56
56 91
91 105
105 117
117 148
148
71 98
98 115
115 146
146 162
162 163
163 190
190 234
234

40 60 80 100 120 140 160 180 200 220 m/z

128 129
129
Intensity [x 10 ]

58
58
6

77
77

0.75
105
105

56
56
0.50
44
44
41
41
0.25 30
30 71
117
117 148
148 162
162
91 98
91 98
115
115 146
146 163
163 190
190 234
234

40 60 80 100 120 140 160 180 200 220 m/z

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 N-ethyl Heptedrone
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.

3.3 INFRARED SPECTROSCOPY (FTIR)

Instrument: FTIR with diamond ATR attachment (1 bounce)

Scan Parameters: Number of scans: 32
Number of background scans: 32
Resolution: 4 cm-1
Sample gain: 1
Aperture: 150

FTIR ATR (Diamond 1 Bounce): N-ethyl Heptedrone HCl; Lot# 0558865-11

%Transmittance

2301
2301
2458
2458

80

450
450
2618

75
2618
2859
2859
2938
2938

70

510
510
2721

65

927
1449

927
2681
2681

1240
1548

1240
1548
60

55

683
683
50
1685
1685

45

699
699
3500 3000 2500 2000 1500 1000 Wavenumber (cm-1)
%Transmittance

889
839
889
839
1363
1363

1001
1001

80
1158
1158
1598

450
1598

450
1041
1116

1041
1116

75
1206
1206

753
753
1286

729
729
792
792

70
1471
1471

510
510
1225
1225

960

65
960
927
1449

927
1449

1240
1548

1240
1548

60

55
683
683

50
1685
1685

45
699
699

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

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