Methacetin

• Formula: C₉H₁₁NO₂
• Molecular weight: 165.1891
• IUPAC Standard InChI: InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) Copy

  
• IUPAC Standard InChIKey: XVAIDCNLVLTVFM-UHFFFAOYSA-N Copy
• CAS Registry Number: 51-66-1
• 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: Acetamide, N-(4-methoxyphenyl)-; p-Acetanisidide; p-Acetanisidine; p-Methoxyacetanilide; Aceto-p-anisidide; Acetyl-p-anisidine; Metacetin; N-Acetyl-p-methoxyaniline; 4-Methoxyacetanilide; 4'-Methoxyacetanilide; N-Acetyl-p-anisidine; Aceto-p-anisidine; Acetanilide, 4'-methoxy-; N-(4-Methoxyphenyl)acetamide; N-(p-Methoxyphenyl)acetamide; 4-(Acetylamino)anisole; NSC 4687; Acetanilide, 4-methoxy; N-(4-Methoxyphenyl)acetic acid amide
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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, temperature ramp

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

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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.

Manzo and Ahumanda, 1990
Manzo, R.H.; Ahumanda, A.A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109, https://doi.org/10.1002/jps.2600791214 . [all data]

Manzo and Ahumada, 1990
Manzo, Ruben H.; Ahumada, Amelia A., Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures, J. Pharm. Sci., 1990, 79, 12, 1109-1115, https://doi.org/10.1002/jps.2600791214 . [all data]

Gamble, Gilbert, et al., 1970
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G., Substituent effects in the fragmentation of acetanilides,, J. Chem. Soc. B, 1970, 1231. [all data]

Staack and Maurer, 2003
Staack, R.F.; Maurer, H.H., Toxicological detection of the new designer drug 1-(4-methoxyphenyl)piperazine and its metabolites in urine and differentiation from an intake of structurally related medicaments using gas chromatography-mass spectrometry, J. Chromatogr. B, 2003, 798, 2, 333-342, https://doi.org/10.1016/j.jchromb.2003.10.004 . [all data]

Maurer, Tauvel, et al., 2001
Maurer, H.H.; Tauvel, F.X.; Kraemer, T., Screening procedure for detection of non-steroidal anti-inflammatory drugs and their metabolites in urine as part of a systematic toxicological analysis procedure for acidic drugs and poisons by gas chromatography-mass spectrometry after extractive methylation, J. Anal. Toxicol., 2001, 25, 237-244. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion

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