Methylephedrine

• Formula: C₁₁H₁₇NO
• Molecular weight: 179.2588
• IUPAC Standard InChI: InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3 Copy

  
• IUPAC Standard InChIKey: FMCGSUUBYTWNDP-UHFFFAOYSA-N Copy
• CAS Registry Number: 552-79-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • (+)-N-Methylephedrine
• Other names: Benzenemethanol, α-[1-(dimethylamino)ethyl]-, [R-(R*,S*)]-; (1R,2S)-(-)-N-Methylephedrine; (1RS,2RS)-2-dimethylamino-1-phenylpropan-1-ol; L-erythro-α-[1-(Dimethylamino)ethyl]benzyl alcohol; N-Methylephedrine; N,N-Dimethylnorephedrine; 2-(Dimethylamino)-1-phenyl-1-propanol , (1R,2S)-; (1R,2S)-2-Dimethylamino-1-phenyl-1-propanol; Benzenemethanol, α-((1S)-1-(dimethylamino)ethyl)-, (αR)-; Methylephedrin; (-) 2-Dimethylamino-1-phenyl-1-propanol (methylephedrine)
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, isothermal

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References

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Di, Zi-You, et al., 2008
Di, Cui; Zi-You, Gao; Xiao-Mei, Zhao, Cascades with coupled map lattices in preferential attachment community networks, Chinese Phys. B, 2008, 17, 5, 1703-1708, https://doi.org/10.1088/1674-1056/17/5/028 . [all data]

Li, Zell, et al., 1999
Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J.W., Characterization of racemic species of chiral drugs using thermal analysis, thermodynamic calculation, and structural studies, J. Pharm. Sci., 1999, 88, 3, 337-346, https://doi.org/10.1021/js980205u . [all data]

Huber, Kenndler, et al., 1979
Huber, J.F.K.; Kenndler, E.; Reich, G., Quantitation of the Information Content of Multi-Dimensional Gas Chromatography and Low- Resolution Mass Spectrometry in the Identification of Doping Drugs, J. Chromatogr., 1979, 172, 1, 15-30, https://doi.org/10.1016/S0021-9673(00)90941-5 . [all data]

Donike and Stratmann, 1976
Donike, M.; Stratmann, D., Gas-chromatographische identifizierung von stimulantien der phenyläthylaminreihe mit hilfe der retnetions-indices, Z. Anal. Chem., 1976, 279, 2, 129-131, https://doi.org/10.1007/BF00440798 . [all data]

Tretyakov, 2014
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K., Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices, Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342 . [all data]

Caddy, Fish, et al., 1973
Caddy, B.; Fish, F.; Scott, D., Chromatographic screening for drugs of abuse using capillary columds. II. Peak identification on support coated open tubular columns for a series of central nervous system stimulating drugs, Chromatographia, 1973, 6, 7, 293-300, https://doi.org/10.1007/BF02269329 . [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Yashiki, Kojima, et al., 1995
Yashiki, M.; Kojima, T.; Miyazaki, T.; Nagasawa, N.; Iwasaki, Y.; Hara, K., Detection of amphetamines in urine using head space-solid phase microextraction and chemical ionization selected ion monitoring, Forensic Sci. Int., 1995, 76, 3, 169-177, https://doi.org/10.1016/0379-0738(95)01819-0 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  ΔfusH

  Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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