Chemical Properties of 1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)- (CAS 6539-57-7)

InChI

InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3

InChI Key

GEFQWZLICWMTKF-UHFFFAOYSA-N

Formula

C9H13NO3

SMILES

CC(N)C(O)c1ccc(O)c(O)c1

Molecular Weight¹

183.20

CAS

6539-57-7

Other Names

• Nordefrin
• Benzyl alcohol, «alpha»-(1-aminoethyl)-3,4-dihydroxy-
• «alpha»-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol
• 3,4-Dihydrophenyl-1-amino-2-propanol-1
• (.+/-.)-3,4-Dihydroxynorephedrine
• Dihydroxyphenylpropanolamine
• Dioxynorepinephrine
• Isoadrenaline
• Methylnoradrenaline
• «alpha»-Methylnoradrenaline
• «alpha»-Methylnorepinephrine
• DL-«alpha»-Methylnorepinephrine
• l-«alpha»-Methylnorepinephrine
• Nordephrine
• 2-amino-1-(3,4-dihydroxyphenyl)propan-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.54; 462.41]	J/mol×K	[757.07; 986.21]
Cp,gas	409.54	J/mol×K	757.07	Joback Calculated Property
Cp,gas	418.76	J/mol×K	795.26	Joback Calculated Property
Cp,gas	427.63	J/mol×K	833.45	Joback Calculated Property
Cp,gas	436.30	J/mol×K	871.64	Joback Calculated Property
Cp,gas	444.89	J/mol×K	909.83	Joback Calculated Property
Cp,gas	453.55	J/mol×K	948.02	Joback Calculated Property
Cp,gas	462.41	J/mol×K	986.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)-.

Sources

• 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.