2,5-dimethoxyamphetamine

5
2,5-Dimethoxyamphetamine The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 12/16/2013 Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 11 H 17 NO 2 195 Not Determined HCl C 11 H 17 NO 2 . HCl 231 108.8 HBr C 11 H 17 NO 2 . HBr 276 121.5 and 130.4 NH 2 CH 3 O O CH 3 C H 3 1. GENERAL INFORMATION IUPAC Name: 1-(2,5-dimethoxyphenyl)propan-2-amine CAS#: 2801-68-5 Synonyms: 2,5-DMA; 2,5-dimethoxy- α -methyl-benzeneethanamine; 2,5-dimethoxy- α -methylphenethylamine Source: DEA Reference Material Collection Appearance: White powder (HCl and HBr) UV max (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 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 231 108.8HBr C11H17NO2 . HBr 276 121.5 and 130.4

    NH2

    CH3

    O

    OCH3

    CH3

    1. GENERAL INFORMATION

    IUPAC Name: 1-(2,5-dimethoxyphenyl)propan-2-amine

    CAS#: 2801-68-5

    Synonyms: 2,5-DMA; 2,5-dimethoxy-a-methyl-benzeneethanamine;

    2,5-dimethoxy-a-methylphenethylamine

    Source: DEA Reference Material Collection

    Appearance: White powder (HCl and HBr)

    UVmax(nm): Not Determined

    2. CHEMICAL AND PHYSICAL DATA

    2.1 CHEMICAL DATA

  • The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

    Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013

    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

    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

    Maleic Acid

    TSP

    1H NMR: 2,5-dimethoxyamphetamine HCl Lot # AKB29A

    Chemical Shift...

    6

    Chemical Shift (ppm)

    0

    0.25

    0.50

    0.75

    111

    Chemical Shift (p...

    3

    Chemical Shift (ppm)

    21

  • The Drug Enforcement Administrations Special Testing and Research Laboratorygenerated this monograph using structurally confirmed reference material.

    Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013m/z200180160140120100806040

    [x 105

    ]In

    tens

    ity

    0.5

    1.0

    1.5

    2.0

    2.5

    3.0

    44

    51 65 77 91 108 121 13

    7

    152

    164

    180

    195

    EI+

    EI Mass Spectrum: 2,5-dimethoxyamphetamine HCl Lot # AKB29A

    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:

    8.077 min

  • 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

    420459

    590704

    737820

    891928

    10051036

    11131180

    1225131313921439

    15021603

    2513

    27892835

    3165

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

    %Tr

    ansm

    ittan

    ce

    24

    32

    40

    48

    56

    64

    72

    420459

    590

    704737

    820

    891928

    1036

    1113

    11801225

    131313921439

    1502

    1603

    FTIR ATR (Diamond, 3 Bounce): 2,5-dimethoxyamphetamine HCl Lot # AKB29A

  • 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

    http://forendex.southernforensic.org/index.php/detail/index/169

    4. ADDITIONAL RESOURCES

    Forendex

    Wikipedia