Chemical Properties of 1-Benzyl-3-(1,3-dicarbethoxypropyl) urea (CAS 96977-92-3)

1-Benzyl-3-(1,3-dicarbethoxypropyl) urea

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InChI
InChI=1S/C17H24N2O5/c1-3-23-15(20)11-10-14(16(21)24-4-2)19-17(22)18-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,18,19,22)
InChI Key
LUKOKKYTVBMHSU-UHFFFAOYSA-N
Formula
C17H24N2O5
SMILES
CCOC(=O)CCC(NC(=O)NCc1ccccc1)C(=O)OCC
Molecular Weight1
336.38
CAS
96977-92-3
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Physical Properties

Property Value Unit Source
ΔfG° -215.75 kJ/mol Joback Calculated Property
ΔfH°gas -658.20 kJ/mol Joback Calculated Property
ΔfusH° 47.67 kJ/mol Joback Calculated Property
ΔvapH° 93.25 kJ/mol Joback Calculated Property
log10WS -3.51 Crippen Calculated Property
logPoct/wat 1.761 Crippen Calculated Property
McVol 263.040 ml/mol McGowan Calculated Property
Pc 1841.99 kPa Joback Calculated Property
Tboil 921.39 K Joback Calculated Property
Tc 1137.29 K Joback Calculated Property
Tfus 592.34 K Joback Calculated Property
Vc 0.998 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [831.37; 886.38] J/mol×K [921.39; 1137.29] Show Hide
Cp,gas 831.37 J/mol×K 921.39 Joback Calculated Property
Cp,gas 843.46 J/mol×K 957.37 Joback Calculated Property
Cp,gas 854.34 J/mol×K 993.36 Joback Calculated Property
Cp,gas 864.05 J/mol×K 1029.34 Joback Calculated Property
Cp,gas 872.61 J/mol×K 1065.32 Joback Calculated Property
Cp,gas 880.04 J/mol×K 1101.31 Joback Calculated Property
Cp,gas 886.38 J/mol×K 1137.29 Joback Calculated Property

Similar Compounds

1-Benzyl-3-(1-carbethoxy-3-methylbutyl) urea. 1-Benzyl-3-(1,2-dicarbethoxyethyl)urea. mexazolam. Poligodial + Phe (methyl ester) adduct, (R). Poligodial + Phe (methyl ester) adduct, (S). 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. norbormide. risperidone. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. 5,6-Dihydrouracil riboside, TMS. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to 1-Benzyl-3-(1,3-dicarbethoxypropyl) urea.

Sources

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