Chemical Properties of Dihydroxyphenylalanine (CAS 63-84-3)

InChI

InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)

InChI Key

WTDRDQBEARUVNC-UHFFFAOYSA-N

Formula

C9H11NO4

SMILES

NC(Cc1ccc(O)c(O)c1)C(=O)O

Molecular Weight¹

197.19

CAS

63-84-3

Other Names

• (.+/-.)-3,4-Dihydroxyphenylalanine
• (.+/-.)-3-(3,4-Dihydroxyphenyl)alanine
• (.+/-.)-Dopa
• (R,S)-Dopa
• 3',4'-Dihydroxyphenylalanine
• 3(3,4-Dihydroxyphenyl)-dl-alanine
• 3,4-Dihydroxy-DL-phenylalanine
• Alanine, 3-(3,4-dihydroxyphenyl)-, DL-
• DL-3,4-DOPA
• DL-Dihydroxyphenylalanine
• DL-Dioxyphenylalanine
• DL-Tyrosine, 3-hydroxy-
• DL-«beta»-(3,4-Dihydroxyphenyl)alanine
• NSC 16940
• dl-3,4-Dihydroxyphenylalanine
• dl-Dopa
• dl-«beta»-(3,4-Dihydroxyphenyl)-«alpha»-alanine
• «beta»-(3,4-Dihydroxyphenyl)-DL-«alpha»-alanine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 formation at standard conditions, 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	[206.61; 457.25]	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			-4.76290e+01
Coefficient B			1.20770e+00
Coefficient C			-1.12892e-03
Coefficient D			4.26100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.61	J/mol×K	273.00	Calculated Property
Cp,gas	257.20	J/mol×K	353.78	Calculated Property
Cp,gas	298.97	J/mol×K	434.56	Calculated Property
Cp,gas	333.25	J/mol×K	515.33	Calculated Property
Cp,gas	361.39	J/mol×K	596.11	Calculated Property
Cp,gas	384.75	J/mol×K	676.89	Calculated Property
Cp,gas	404.67	J/mol×K	757.67	Calculated Property
Cp,gas	422.49	J/mol×K	838.44	Calculated Property
Cp,gas	439.57	J/mol×K	919.22	Calculated Property
Cp,gas	457.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dihydroxyphenylalanine.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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