Chemical Properties of 1-Amino-5-benzamidoanthraquinone (CAS 117-06-6)

1-Amino-5-benzamidoanthraquinone

InChI
InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)
InChI Key
FWEQPMZEKHHFTB-UHFFFAOYSA-N
Formula
C21H14N2O3
SMILES
Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O
Molecular Weight1
342.35
CAS
117-06-6
Other Names
  • N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
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Physical Properties

Property Value Unit Source
ΔfusH° 40.79 kJ/mol Joback Calculated Property
IE 7.64 eV Relay (1.0) Calculated Property
logPoct/wat 3.296 Crippen Calculated Property
McVol 249.280 ml/mol McGowan Calculated Property
Tfus 535.65 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [318.81; 766.44] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.62800e+01
Coefficient B1.48460e+00
Coefficient C-8.51340e-04
Coefficient D1.59460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 318.81 J/mol×K 273.00 Calculated Property
Cp,gas 399.45 J/mol×K 353.78 Calculated Property
Cp,gas 471.18 J/mol×K 434.56 Calculated Property
Cp,gas 534.52 J/mol×K 515.33 Calculated Property
Cp,gas 589.96 J/mol×K 596.11 Calculated Property
Cp,gas 638.02 J/mol×K 676.89 Calculated Property
Cp,gas 679.19 J/mol×K 757.67 Calculated Property
Cp,gas 713.98 J/mol×K 838.44 Calculated Property
Cp,gas 742.90 J/mol×K 919.22 Calculated Property
Cp,gas 766.44 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzamide, N-(9,10-dihydro-4-amino-9,10-dioxo-1antracenyl)-. Benzamide, N-(4-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-. Nomifemsine M(HO), diacetylated, isomer # 2. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Aflatoxin G2. 1-Phenylcarbamoyl-2,3-phthaloylpyrrocoline. Butorphanol di-TMS derivative. Thymine, 1-alpha-l-rhamnopyranosyl-. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Ni-TETMP complex. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Oxycodone. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Noscapine.

Find more compounds similar to 1-Amino-5-benzamidoanthraquinone.

Sources

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