5-Allyl-5-butylbarbituric acid

• Formula: C₁₁H₁₆N₂O₃
• Molecular weight: 224.2563
• IUPAC Standard InChI: InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4H,2-3,5-7H2,1H3,(H2,12,13,14,15,16) Copy

  
• IUPAC Standard InChIKey: RRWVWLGUQPLOMY-UHFFFAOYSA-N Copy
• CAS Registry Number: 3146-66-5
• Chemical structure:
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• Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-; Barbituric acid, 5-allyl-5-butyl-; n-Butylallylbarbitone; n-Butylallylbarbituric acid; Allylbutylbarbituric acid; Idobutal; 5-Allyl-5-n-butylbarbituric acid; 5-Butyl-5-allylbarbituric acid; 5-Allyl-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Barbituric acid, 5-butyl-5-(2-propenyl); 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propen-1-yl)-
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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, isothermal

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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.

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]

Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A., The significance of the retention index in toxicologic analysis II, Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [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

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