Secobarbital

• Formula: C₁₂H₁₈N₂O₃
• Molecular weight: 238.2829
• IUPAC Standard InChI: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) Copy

  
• IUPAC Standard InChIKey: KQPKPCNLIDLUMF-UHFFFAOYSA-N Copy
• CAS Registry Number: 76-73-3
• 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: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-; Barbituric acid, 5-allyl-5-(1-methylbutyl)-; 5-Allyl-5-(1-methylbutyl)barbituric acid; 5-Allyl-5-(1-methylbutyl)malonylurea; Barbosec; Evronal; Hypotrol; Immenox; Meballymal; 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-; Quinalbarbital; Quinalbarbitone; Secobarbitone; Seconal; 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; (.+/-.))-Secobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-; Imesonal; Immenoctal; Trisomnin; Hyptran; 5-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione (secobarbital)
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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

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.

Kuffner, Bush, et al., 1957
Kuffner, R.J.; Bush, M.T.; Bircher, L.J., Studies on the surface tension of aqueous barbituric acid solutions, J. Am. Chem. Soc., 1957, 79, 1587-1589. [all data]

Wassvik, Holmén, et al., 2008
Wassvik, Carola M.; Holmén, Anders G.; Draheim, Rieke; Artursson, Per; Bergström, Christel A.S., Molecular Characteristics for Solid-State Limited Solubility, J. Med. Chem., 2008, 51, 10, 3035-3039, https://doi.org/10.1021/jm701587d . [all data]

Notes

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• 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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