Chemical Properties of 1,4-Diamino-2,3-dihydroanthraquinone

1,4-Diamino-2,3-dihydroanthraquinone

InChI
InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2
InChI Key
SSGALQHXKMAJTL-UHFFFAOYSA-N
Formula
C14H12N2O2
SMILES
NC1=C2C(=O)c3ccccc3C(=O)C2=C(N)CC1
Molecular Weight1
240.26
Other Names
  • Leuco-1,4-diaminoanthraquinone
  • Anthraquinone, 1,4-diamino-2,3-dihydro-
  • Anthraquinone, 2,3-dihydro-1,4-diamino-
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Physical Properties

Property Value Unit Source
ΔfH°gas -26.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.90 kJ/mol Joback Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -3.64 Relay (1.0) Calculated Property
logPoct/wat 1.285 Crippen Calculated Property
McVol 177.140 ml/mol McGowan Calculated Property
Tboil 654.87 K Relay (1.0) Calculated Property
Tfus 547.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [237.31; 565.19] 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 A6.55000e+00
Coefficient B9.68200e-01
Coefficient C-4.65560e-04
Coefficient D5.60000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 237.31 J/mol×K 273.00 Calculated Property
Cp,gas 293.29 J/mol×K 353.78 Calculated Property
Cp,gas 343.97 J/mol×K 434.56 Calculated Property
Cp,gas 389.52 J/mol×K 515.33 Calculated Property
Cp,gas 430.13 J/mol×K 596.11 Calculated Property
Cp,gas 465.97 J/mol×K 676.89 Calculated Property
Cp,gas 497.22 J/mol×K 757.67 Calculated Property
Cp,gas 524.06 J/mol×K 838.44 Calculated Property
Cp,gas 546.65 J/mol×K 919.22 Calculated Property
Cp,gas 565.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. xanthosine-5'-monophosphate, TMS. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Tazettine. N-Desmethylmirtazapine. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. ethyl eburnamenine-14-carboxylate. inosine-5'-monophosphate, TMS. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate. mithramycin a.

Find more compounds similar to 1,4-Diamino-2,3-dihydroanthraquinone.

Sources

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