Butalbital

• Formula: C₁₁H₁₆N₂O₃
• Molecular weight: 224.2563
• IUPAC Standard InChI: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) Copy

  
• IUPAC Standard InChIKey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 77-26-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-; Barbituric acid, 5-allyl-5-isobutyl-; Alisobumal; Allylbarbital; Allylbarbitone; Allylisobutylbarbital; Allylisobutylbarbituric acid; Butalbarbital; Isobutylallylbarbituric acid; Isobutylallylbarturic acid; Itobarbital; Optalidon; Sandoptal; Tetrallobarbital; 5-Allyl-5-(2-methylpropyl)barbituric acid; 5-Allyl-5-isobutylbarbituric acid; Allylbarbituric acid; 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid; Profundal; 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Axotal; Fiorinal; Axocet
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' RI, non-polar column, isothermal

Go To: Top, 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

References

Go To: Top, Kovats' RI, non-polar column, isothermal, Notes

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

Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T., Further applications for capillary gas chromatography in routine quantitative toxicological analyses, J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106 . [all data]

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Stead, Gill, et al., 1982
Stead, A.H.; Gill, R.; Evans, A.T.; Moffat, A.C., Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure, J. Chromatogr., 1982, 234, 2, 277-283, https://doi.org/10.1016/S0021-9673(00)81866-X . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

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