Chemical Properties of Barbituric acid, 5-ethyl-5-isoamyl- (CAS 57-43-2)

Barbituric acid, 5-ethyl-5-isoamyl-

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InChI
InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChI Key
VIROVYVQCGLCII-UHFFFAOYSA-N
Formula
C11H18N2O3
SMILES
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
Molecular Weight1
226.27
CAS
57-43-2
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
  • 5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-(3-methylbutyl)barbituric acid
  • 5-Ethyl-5-isoamylbarbituric acid
  • 5-Ethyl-5-isoamylmalonyl urea
  • 5-Ethyl-5-isopentylbarbituric acid
  • 5-Isoamyl-5-ethylbarbituric acid
  • Amal
  • Amasust
  • Amital
  • Amobarbitone
  • Amospan
  • Amybal
  • Amylbarbitone
  • Amylobarbital
  • Amylobarbitone
  • Amytal
  • Barbamil
  • Barbamyl
  • Barbamyl acid
  • Barbituric acid, 5-ethyl-5-isoamyl-
  • Barbituric acid, 5-ethyl-5-isopentyl-
  • Binoctal
  • Dorlotyn
  • Dormytal
  • Ethylisopentylbarbituric acid
  • Eunoctal
  • Isoamylethylbarbituric acid
  • Isomyl
  • Isomytal
  • Mylodorm
  • NSC 10815
  • Pentymal
  • Pentymalum
  • Robarb
  • Schiwanox
  • Sednotic
  • Somnal
  • Stadadorm
  • Sumital
  • Talamo
Sources

Physical Properties

Property Value Unit Source
Δf -134.09 kJ/mol Joback Calculated Property
Δfgas -543.57 kJ/mol Joback Calculated Property
Δfus 23.97 kJ/mol Joback Calculated Property
Δvap 65.23 kJ/mol Joback Calculated Property
logPoct/wat 1.18 Crippen Calculated Property
Pc 2887.40 kPa Joback Calculated Property
Tboil 770.99 K Joback Calculated Property
Tc 1023.28 K Joback Calculated Property
Tfus 433.00 ± 1.00 K NIST
Tfus 426.00 ± 4.00 K NIST
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 550.25 J/mol×K 770.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 3
>NH (ring) 2
-CH2- 3
>C< (ring) 1
>C=O (ring) 3

Similar Compounds

Butethal. Barbituric acid, 5-ethyl-5-n-hexyl-. Di-n-propylbarbituric acid. 5-Allyl-5-butylbarbituric acid. Butabarbital. 5-Acetonyl-5-propyl-hexahydropyrimidin-2,4,6-trione. Barbital. Barbituric acid, 5-allyl-5-neopentyl-. Barbituric acid, 5-allyl-5-isobutyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(3-methylbutyl)-. Barbituric acid, 5-ethyl-5-isopropyl-. Talbutal. 2,4,6(1H,3h,5h)-pyrimidinetrione, 5-ethyl-5-(2-propenyl)-. Brallobarbital M (des-Br, OH). Allobarbital.

Find more compounds similar to Barbituric acid, 5-ethyl-5-isoamyl-.

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