Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)- (CAS 1142-70-7)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-

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InChI
InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChI Key
FWZMBTIUIQUJFF-UHFFFAOYSA-N
Formula
C11H15BrN2O3
SMILES
C=C(Br)CC1(C(C)CC)C(=O)NC(=O)NC1=O
Molecular Weight1
303.15
CAS
1142-70-7
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(1-methylpropyl)-
  • 5-(2'-Bromallyl)-5-(sec-butyl)barbituric acid
  • 5-(2'-Bromoallyl)-5-(1'-methyl-n-propyl)barbituric acid
  • 5-(2-Bromo-2-propenyl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(2-Bromo-2-propenyl)-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(2-Bromoallyl)-5-sec-butylbarbituric acid
  • 5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
  • 5-sec-Butyl-5-(«beta»-bromoallyl)barbituric acid
  • Barbituric acid, 5-(2-bromoallyl)-5-sec-butyl-
  • Butallylonal
  • Butylalylonal
  • Pernocton
  • Pernoston
  • Sonbutal
Sources

Physical Properties

Property Value Unit Source
Δf -40.48 kJ/mol Joback Calculated Property
Δfgas -401.60 kJ/mol Joback Calculated Property
Δfus 26.66 kJ/mol Joback Calculated Property
Δvap 71.07 kJ/mol Joback Calculated Property
logPoct/wat 1.68 Crippen Calculated Property
Pc 3284.05 kPa Joback Calculated Property
Tboil 833.71 K Joback Calculated Property
Tc 1104.10 K Joback Calculated Property
Tfus 688.81 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.98 J/mol×K 833.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Barbituric acid, 5-(2-bromoallyl)-5-propyl-. Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-. Talbutal. Brallobarbital M (OH). Brallobarbital. Butallylonal perethylated. Narcobarbital. Butallylonal perbutylated. Barbituric acid, 5-allyl-5-isobutyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-. Barbituric acid, 5-allyl-5-neopentyl-. Cyclopentobarbital. Butabarbital. 5-Allyl-5-butylbarbituric acid. Brallobarbital M (des-Br, OH).

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-.

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