Chemical Properties of 5-(«beta»-Bromoallyl)-5-(1-methylbutyl)barbituric acid (CAS 1216-40-6)

5-(«beta»-Bromoallyl)-5-(1-methylbutyl)barbituric acid

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InChI
InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChI Key
ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Formula
C12H17BrN2O3
SMILES
C=C(Br)CC1(C(C)CCC)C(O)=NC(=O)N=C1O
Molecular Weight1
317.18
CAS
1216-40-6
Other Names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl)-
  • Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-
  • R 239
  • Recton
  • Sigmodal
  • 5-(2-bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione
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Physical Properties

Property Value Unit Source
Δf 38.28 kJ/mol Joback Calculated Property
Δfgas -292.36 kJ/mol Joback Calculated Property
Δfus 31.17 kJ/mol Joback Calculated Property
Δvap 98.97 kJ/mol Joback Calculated Property
log10WS -3.76 Crippen Calculated Property
logPoct/wat 3.754 Crippen Calculated Property
McVol 206.950 ml/mol McGowan Calculated Property
Pc 3329.68 kPa Joback Calculated Property
Inp [2031.00; 2031.00]   Show Hide
Inp 2031.00 NIST
Inp 2031.00 NIST
Tboil 923.89 K Joback Calculated Property
Tc 1150.89 K Joback Calculated Property
Tfus 644.86 K Joback Calculated Property
Vc 0.791 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [663.07; 735.25] J/mol×K [923.89; 1150.89] Show Hide
Cp,gas 663.07 J/mol×K 923.89 Joback Calculated Property
Cp,gas 676.07 J/mol×K 961.72 Joback Calculated Property
Cp,gas 688.58 J/mol×K 999.56 Joback Calculated Property
Cp,gas 700.67 J/mol×K 1037.39 Joback Calculated Property
Cp,gas 712.43 J/mol×K 1075.22 Joback Calculated Property
Cp,gas 723.94 J/mol×K 1113.05 Joback Calculated Property
Cp,gas 735.25 J/mol×K 1150.89 Joback Calculated Property

Similar Compounds

Bufotalin. Testosterone, 3-HFB, 17«beta»-monochloacetate. 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide. Griseofulvin. Testosterone, 3-HFB, 17«beta»-pentafluoropropionate. Testosterone, 3-Ac, 17«beta»-HFB. Testosterone, 3-HFB, 17«beta»-TFA. 6«beta»-Hydroxy-Fluoxymesterone, tetra-TMS (2,4-diene). DL-Alanyl-DL-alanine, N,N'-methyl-N'-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester. Dimetindene M (nor, OH), acetylated. amikacin. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Benazepril desethyl 3Me (Benazeprilate 3Me). Poligodial + Phe (methyl ester) adduct, (S). Poligodial + Phe (methyl ester) adduct, (R).

Find more compounds similar to 5-(«beta»-Bromoallyl)-5-(1-methylbutyl)barbituric acid.

Sources

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