Pyrazinamide
- Formula: C5H5N3O
- Molecular weight: 123.1127
- IUPAC Standard InChI: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
- IUPAC Standard InChIKey: IPEHBUMCGVEMRF-UHFFFAOYSA-N
- CAS Registry Number: 98-96-4
- 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. - Other names: Pyrazinecarboxamide; Aldinamid; Aldinamide; D-50; Eprazin; Farmizina; MK 56; Novamid; Pirazimida; Pirazinamid; Pyrafat; Pyrazine Carboxylamide; Pyrazinecarboxylic acid amide; Pyrazinoic acid amide; Tebrazid; Unipyranamide; Zinamide; 2-Carbamylpyrazine; 2-Pyrazinecarboxamide; NCI-C01785; PZA; T 165; Pyrazineamide; NSC 14911; Pyrazine-2-carboxylic 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 | 463. | K | N/A | Grady, Hays, et al., 1973 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.0 | 368. | ME | Stephenson and Malanowski, 1987 | Based on data from 353. to 383. K. See also Negoro, Miki, et al., 1960 and Harutada, 1959.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 7.237 | 463. | Negoro, Miki, et al., 1960, 2 | 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Other | Methyl Silicone | 1250. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1755. | Budryn, Nebesny, et al., 2011 | 30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min |
| Capillary | DB-Wax | 1740. | Moon and Shibamoto, 2009 | 60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min |
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.
Grady, Hays, et al., 1973
Grady, L.T.; Hays, S.E.; King, R.H.; Klein, H.R.; Mader, W.J.; Wyatt, D.K.; Zimmere, R.O.,
Drug purity profiles,
J. Pharm. Sci., 1973, 62, 459. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Negoro, Miki, et al., 1960
Negoro, H.; Miki, T.; Ueda, S.,
Yakugaku Zasshi, 1960, 80, 665. [all data]
Harutada, 1959
Harutada, N.,
Takamine Kenkyusho Nempo, 1959, 11, 66. [all data]
Negoro, Miki, et al., 1960, 2
Negoro, H.; Miki, T.; Ueda, S.; Sanada, T.; Okada, R.,
Yakugaku Zasshi, 1960, 80, 670. [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]
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Moon and Shibamoto, 2009
Moon, J.-K.; Shibamoto, T.,
Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans,
J. Agric. Food Chem., 2009, 57, 13, 5823-5831, https://doi.org/10.1021/jf901136e
. [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 ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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