Chemical Properties of 9,10-Anthracenedione, 1-amino-4-hydroxy-2-methoxy- (CAS 2379-90-0)

InChI

InChI=1S/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3

InChI Key

WSPPHHAIMCTKNN-UHFFFAOYSA-N

Formula

C15H11NO4

SMILES

COc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O

Molecular Weight¹

269.25

CAS

2379-90-0

Other Names

• 1-Amino-2-methoxy-4-oxyanthraquinone
• 1-Amino-4-hydroxy-2-methoxy-9,10-anthracenedione
• 1-Amino-4-hydroxy-2-methoxyanthraquinone
• 1a-2Mo-4oa
• Acetoquinone Light Pink RLZ
• Anthraquinone, 1-amino-4-hydroxy-2-methoxy-
• Artisil Brilliant Pink RFS
• C.I. 60755
• C.I. Disperse Red 4
• Celliton Fast Pink RF
• Celliton Fast Pink RFA-CF
• Cerven disperzni 4
• Cilla Fast Pink RF
• Dianix Fast Pink R
• Disperse Pink Zh
• Disperse Red-4
• Disperse Rose Zh
• Esteroquinone Light Pink RLL
• Fenacet Fast Pink RF
• Interchem Acetate Fast Pink DNA
• Miketon Fast Pink RL
• Miketon Polyester Pink RL
• NSC 81265
• Nyloquinone Pink B
• Palanil Pink RF
• Perliton Brilliant Pink R
• Samaron Pink RFL
• Supracet Fast Pink 2R

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[263.97; 590.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.35100e+01
Coefficient B			1.03672e+00
Coefficient C			-6.09200e-04
Coefficient D			1.39400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.97	J/mol×K	273.00	Calculated Property
Cp,gas	320.20	J/mol×K	353.78	Calculated Property
Cp,gas	370.42	J/mol×K	434.56	Calculated Property
Cp,gas	415.06	J/mol×K	515.33	Calculated Property
Cp,gas	454.56	J/mol×K	596.11	Calculated Property
Cp,gas	489.36	J/mol×K	676.89	Calculated Property
Cp,gas	519.91	J/mol×K	757.67	Calculated Property
Cp,gas	546.65	J/mol×K	838.44	Calculated Property
Cp,gas	570.00	J/mol×K	919.22	Calculated Property
Cp,gas	590.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,10-Anthracenedione, 1-amino-4-hydroxy-2-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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