Benzeneethanamine,3,4,5-trimethoxy-N-methyl-

• Formula: C₁₂H₁₉NO₃
• Molecular weight: 225.2842
• IUPAC Standard InChI: InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: OTXANOLOOUNVSR-UHFFFAOYSA-N Copy
• CAS Registry Number: 4838-96-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Benzenethanamine,3,4,5-trimethoxy-N-methyl-; Mescaline, N-methyl-; N-Methylmescaline
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• Information on this page:
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₁₂H₁₉NO₃⁺ (ion structure unspecified)

Appearance energy determinations

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

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

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References

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

Domelsmith, Munchausen, et al., 1977
Domelsmith, L.N.; Munchausen, L.L.; Houk, K.N., Photoelectron spectra of psychotropic drugs. 1. Phenethylamines, tryptamines, and LSD, J. Am. Chem. Soc., 1977, 99, 4311. [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, Gas phase ion energetics data, Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy

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