3,4-dimethoxyamphetamine
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Transcript of 3,4-dimethoxyamphetamine
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The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.
Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Form Chemical Formula Molecular Weight Melting Point (oC)Base C11H17NO2 195 Not DeterminedHCl C11H17NO2 . HCl 231 151.1
O
NH2
CH3CH3
OCH3
1. GENERAL INFORMATION
IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-amine
CAS#: 120-26-3
Synonyms: 3,4-DMA
Source: DEA Reference Material Collection
Appearance: White powder (HCl)
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
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The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013Chemical Shift (ppm)
0
0.5
1.0
3
Chemical Shift (ppm)8 7 6 5 4 3 2
0
0.5
1.0
1.5
2.0
2.5
3.0
3.5
3216111
solvent impurity
Maleic Acid
HDO
TSP
1H NMR: 3,4-dimethoxyamphetamine HCl Lot # MP150-151 Batch 1; D2O; 400 MHz
Chemical S...
6
Chemical Shift (ppm)
00.10.20.30.4
111
Chemical Shift (ppm)
21
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Method NMR D2O
Sample Preparation: Dilute analyte to ~10 mg/mL in D2O containing TSP for 0 ppm reference and maleicacid 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
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The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.
Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
m/z200180160140120100806040
[x 105
]In
tens
ity
1
219
5
180
179
164
152
137
121
107
91776551
44
EI+
EI Mass Spectrum: 3,4-dimethoxyamphetamine HCl Lot # MP150-151 Batch 1
m/z200180160140120100806040
[x 10
3 ]In
tens
ity
195
180
17916
4
152
137
121
107
9177655144
EI+
3.2 Gas Chromatography/Mass Spectrometry
Sample Preparation: Dilute analyte ~1 mg/mL base extracted into chloroform.
Instrument: Agilent gas chromatograph operated in split mode with MS detector
Column: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25mm
Carrier Gas: Helium at 1 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 300oC at 12oC/min 3) Hold final temperature for 9.0 minInjection Parameters:
Split Ratio = 20:1, 1mL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time:
8.184 min
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The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.
Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
3.3 INFRARED SPECTROSCOPY (FTIR)Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
20
30
40
50
60
70 31632974
2939 29082833
270026052590
25732509
15991508
14661443
14291338
12671232
11531144
11201043
10241011
930850 795 768
739625
563461
440
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
20
30
40
50
60
70
1599
150814661452
14431429 1417
138913711363
13381267
12321203
11531144
1120
10431024
1011989
958 930916893
850804
795 768739
625600
563
461440
FTIR ATR (Diamond, 3 Bounce): 3,4-dimethoxyamphetamine HCl Lot # MP150-151 Batch 1
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The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.
Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
http://en.wikipedia.org/wiki/Dimethoxyamphetamine
4. ADDITIONAL RESOURCES
Wikipedia