4-Methylamphetamine - SWGDRUG · 4-Methylamphetamine The Drug Enforcement Administration's Special...

4-MethylamphetamineThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

of 5SWGDRUG.org/monographs.htmLatest Revision: 01/15/2014 Page 1 of 5

CH3

NH2CH3

1. GENERAL INFORMATION

IUPAC Name: 1-(4-methylphenyl)propan-2-amine

CAS#: 22683-78-9 (Base), 41632-56-8 (HCl)

Synonyms: 4-MA, PAL-313, Aptrol, p-TAP, p-methylamphetamine

Source: DEA Reference Material Collection

Appearance: White powder (HCl)

UVmax (nm): Not Determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C10H15N 149 Not Determined

HCl C10H15N. HCl 185 149.9




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~5 mg/mL in deuterium oxide (D2O) containing TSP for 0 ppmreference and maleic acid 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 seconds1H NMR: 4-methylamphetamine HCl; Lot ALB238-18; D2O; 400 MHz

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

0

1

2

3

4

5

6

7

8

9

10

33214

Maleic acid (ISTD)

TSP

HDO

Chemical Shift (ppm)

0.575 0.550 0.525

01234

7.250 7.200

4

0.575 0.550 0.525

0

0.25

0.50

0.75

3.65 3.60 3.55

1

0.575 0.550 0.525

0

1

2

3

2.925 2.875

2

0.575 0.550 0.525

0

2.5

5.0

7.5

2.33

3

1.300

3




3.2 Gas Chromatography/Mass Spectrometry

Sample Preparation: Dilute analyte ~ 4 mg/mL base extracted into chloroform

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC

MSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:

1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min

Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu

Threshold: 100Tune file: stune.uAcquisition mode: scan

Retention Time: 4.017 min

EI Mass Spectrum: 4-methylamphetamine HCl; Lot ALB238-18

m/z150140130120110100908070605040

[x 1

06 ]In

tens

ity

2

414

8

134

132

117

11510

510

391897977

65635351

444239

m/z150140130120110100908070605040

[x 1

05 ]In

tens

ity

2 14813

413

2117115

105

103

9189

7977

6563

5351

4442

39




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

FTIR ATR (Diamond, 3 Bounce): 4-methylamphetamine HCl; Lot ALB238-18

Wavenumber (cm-1)3500 3000 2500 2000 1500

%Tr

ansm

ittan

ce

40

48

56

64

72

29802941

29102895

28022733 27022602

25092496

20652052

1616

14951383

12131084

10181003

847795

548411

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

%Tr

ansm

ittan

ce

40

48

56

64

72

1616

15141495

14601444

13831365

1313

12421213

11821134 1107

1084

10181003

939 893847

795756

548

494

445411




http://en.wikipedia.org/wiki/4-methylamphetamine

4. ADDITIONAL RESOURCES

Davis, S.; Blakey, K.; Rands-Trevor, K. GC-MS and GC-IRD analysis of 2-,3- and4-methylmethamphetamine and 2-, 3- and 4-methylamphetamine.Forensic Science International2012, 220, 67-73.

Westphal, F.; Schäfer, T.; Zechlin, L.; Stoll, S. Identification of 4-Methylamphetamine in a seizedAmphetamine Mixture. Toxichem Krimtech 2011, 78 (Special Issue), 306-315.

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