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Properties of substance:

5,5-diethylbarbituric acid

Synonyms:

barbital

Group of substances:

organic

Physical appearance:

white crystals

Empirical formula (Hill's system for organic substances):

C8H12N2O3

Structural formula as text:

(C2H5)2C(CONH)2CO

Molar/atomic mass: 184.19

Melting point (°C):

190

Solubility (g/100 g of solvent):

1-butanol: 5.06 (25°C) [Ref.]
chloroform: 1.3 [Ref.]
diethyl ether: 5.3 [Ref.]
ethanol 50%: 3.64 (15°C) [Ref.]
ethanol 90%: 11 (15°C) [Ref.]
ethyl acetate: 11.2 [Ref.]
water: 0.35 (0°C) [Ref.]
water: 0.67 (20°C) [Ref.]
water: 0.8105 (30°C) [Ref.]
water: 1.029 (40°C) [Ref.]
water: 8 (100°C) [Ref.]

Dissociation:

pKa (1) = 7.43 (25°C, water)

LD50 (mg/kg):

600 (mice, oral)

References:

  1. CRC Handbook of Chemistry and Physics. - 90ed. - CRC Press, 2010. - pp. 3-32
  2. Jouyban A. Handbook of solubility data for pharmaceutacals. – CRC Press, 2010. - pp. 73
  3. Kleemann A. Pharmaceutical Substances. - 2000. - pp. 179
  4. Lewis R.J. Sax's Dangerous Properties of Industrial Materials. - 11ed. - Wiley-interscience, 2004. - pp. 337
  5. Yalkowsky S.H., Yan H. Handbook of aqueous solubility data. - CRC Press, 2003. - pp. 511-512
  6. Беликов В.Г. Учебное пособие по фармацевтической химии. - М.: Медицина, 1979. - pp. 307 [Russian]
  7. Краткая химическая энциклопедия. - Т. 1: А-Е. - М.: Советская энциклопедия, 1961. - pp. 534 [Russian]
  8. Справочник по растворимости. - Т.1, Кн.2. - М.-Л.: ИАН СССР, 1962. - pp. 1342 [Russian]
  9. Справочник химика. - Т. 6. - Л.: Химия, 1967. - pp. 840-841 [Russian]
  10. Халецкий А.М. Фармацевтическая химия. - Л.: Медицина, 1966. - pp. 385-387 [Russian]

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    © Collected Ruslan Anatolievich Kiper, burewestnik@mail.ru