4-Hydroxy-MIPT

4-Hydroxy-MIPT
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
CH 3
H 3C
N
CH 3
OH
N
H
1. GENERAL INFORMATION
IUPAC Name:
3-{2-[methyl(propan-2-yl)amino]ethyl}-1H-indol-4-ol
CAS#:
77872-43-6
Synonyms:
4-OH-MIPT, 4-hydroxy-N-methyl-N-isopropyltryptamine, hats, miprocin
Source:
DEA Reference Material Collection
Appearance:
Gray powder (base)
UVmax (nm):
Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form
Chemical Formula
Molecular Weight
Melting Point ( oC)
Base
C14H20N2O
232
143.7
HCl
C14H20N2O . HCl
268
Not Determined
Latest Revision: 2/5/2015
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Page 1 of 5
4-Hydroxy-MIPT
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 ~5 mg/mL in CD2Cl2 containing TMS for 0 ppm reference and
methenamine as quantitative internal standard.
Instrument:
Parameters:
400 MHz NMR spectrometer
Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
1
H NMR: 4-OH-MIPT Lot # 0438458-25; CD 2Cl2; 400MHz
methenamine
CD2Cl2
TMS
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
2
12
8
7
2
8.05
1
8.00
1
6
5
2
6.95 6.85
Latest Revision: 2/5/2015
3 2
4
1
6.425
6.400
3
3
3
2
2.9 2.8 2.7
SWGDRUG.org/monographs.htm
6
2
3
2.33 2.31
1
0
6
0.975 0.950
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4-Hydroxy-MIPT
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 chloroform.
Instrument:
Column:
Carrier Gas:
Temperatures:
Agilent gas chromatograph operated in split mode with MS detector
DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µm
Helium at 1 mL/min
Injector: 280oC
MSD transfer line: 280oC
MS Source: 230 oC
MS Quad: 150oC
Oven program:
1) 100oC initial temperature for 1.0 min
2) Ramp to 300 oC at 12 oC/min
3) Hold final temperature for 9.0 min
Split Ratio = 20:1, 1 µL injected
Mass scan range: 30-550 amu
Threshold: 100
Tune file: stune.u
Acquisition mode: scan
12.228 min
EI Mass Spectrum: 4-OH-MIPT Lot # 0438458-25
Injection Parameters:
MS Parameters:
5
Intensity [x 10 ]
86
Retention Time:
6
5
44
4
3
40
60
Latest Revision: 2/5/2015
80
100
120
160
SWGDRUG.org/monographs.htm
180
200
217
202
190
174
160
140
232
146
130
117
102
91
77
EI+
65
1
56
2
220
m/z
Page 3 of 5
4-Hydroxy-MIPT
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument:
Scan Parameters:
FTIR with diamond ATR attachment (3 bounce)
Number of scans: 32
Number of background scans: 32
Resolution: 4 cm-1
Sample gain: 8
Aperture: 150
56
482 577
532 615
627
698
835
908
64
798
72
960
1038
1086 1047
1157
1261
1416 1346
1435
1462
1500
1576
2929
2972
3223
%Transmittance
FTIR ATR (Diamond, 3 Bounce): 4-OH-MIPT Lot # 0438458-25
48
729
40
3000
2500
2000
1500
Wavenumber (cm-1)
%Transmittance
3500
417
444
451
482
513
532
577
588
615
627
648
698
56
783
798
835
850
908
931
960
64
1038
1086 1047
1109
1146
1157
1203
1236
1261
1294
1346
1379
1416
1435
1462
1500
1543
1576
72
48
729
40
1700
1600
1500
Latest Revision: 2/5/2015
1400
1300
1200
1100
1000
SWGDRUG.org/monographs.htm
900
800
700 Wavenumber (cm-1)
Page 4 of 5
4-Hydroxy-MIPT
The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
Wikipedia
http://en.wikipedia.org/wiki/4-HO-MiPT
Latest Revision: 2/5/2015
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