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)
- IUPAC Standard InChIKey: XVAIDCNLVLTVFM-UHFFFAOYSA-N
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Phase change data
Go To: Top, Gas Chromatography, References, Notes
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 400.3 | K | N/A | Manzo and Ahumanda, 1990 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 27.82 | 400.3 | Manzo and Ahumada, 1990 | AC |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1630. | Staack and Maurer, 2003 | 12. m/0.20 mm/0.33 μm, He, 30. K/min; Tstart: 100. C; Tend: 310. C |
| Capillary | HP-1 | 1630. | Maurer, Tauvel, et al., 2001 | 12. m/0.20 mm/0.33 μm, He, 100. C @ 3. min, 30. K/min, 310. C @ 8. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1648. | N/A | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
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]
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
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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