Chemical Properties of 1,3-Di(p-nitrobenzyl)-5-amyl-5-ethylbarbituric acid (CAS 116465-41-9)

1,3-Di(p-nitrobenzyl)-5-amyl-5-ethylbarbituric acid

InChI
InChI=1S/C25H28N4O7/c1-3-5-6-15-25(4-2)22(30)26(16-18-7-11-20(12-8-18)28(33)34)24(32)27(23(25)31)17-19-9-13-21(14-10-19)29(35)36/h7-14H,3-6,15-17H2,1-2H3
InChI Key
UKNKCRDQHXIVMZ-UHFFFAOYSA-N
Formula
C25H28N4O7
SMILES
CCCCCC1(CC)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O
Molecular Weight1
496.51
CAS
116465-41-9
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Physical Properties

Property Value Unit Source
IE 9.26 eV Relay (1.0) Calculated Property
logPoct/wat 4.971 Crippen Calculated Property
McVol 364.240 ml/mol McGowan Calculated Property
Tboil 747.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

1-(P-nitrobenzyl)-5-amyl-5-ethylbarbituric acid. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. .delta.1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. «delta»1-tetrahydrocannabinolic acid, methyl-boronate. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 1,3-Di(p-nitrobenzyl)-5-amyl-5-ethylbarbituric acid.

Sources

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