Chemical Properties of Pindolol (CAS 13523-86-9)

InChI

InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

InChI Key

JZQKKSLKJUAGIC-UHFFFAOYSA-N

Formula

C14H20N2O2

SMILES

CC(C)NCC(O)COc1cccc2[nH]ccc12

Molecular Weight¹

248.32

CAS

13523-86-9

Other Names

• (.+/-.)-Pindolol
• (±) 1-(1H-indol-4-yloxy)-3-(isopropylamino)-2-propanol (pindolol)
• (±) 1-(1H-indol-4-yloxy)-3-(isopropylamino)-2-propanol (pindolol)
• 1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol
• 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
• 1-(4-Indolyloxy)-3-(isopropylamino)-2-propanol
• 1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol
• 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-
• 2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)-
• 4-(2-Hydroxy-3-isopropylaminopropoxy)-indole
• 4-(3-(Isopropylamino)-2-hydroxypropoxy)indole
• Betapindol
• Blockin L
• Blocklin L
• Calvisken
• Carvisken
• Decreten
• Durapindol
• Glauco-Visken
• LB-46
• Pectobloc
• Pinbetol
• Prinodolol
• Pynastin
• Visken

• ω : Acentric Factor.
• 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 a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.8042		Relay (1.0) Calculated Property
ΔfG°	69.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-295.07	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	146.00 ± 1.20	kJ/mol	NIST
ΔvapH°	109.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Aq. Solubility Prediction
logPoct/wat	1.424		Crippen Calculated Property
McVol	200.900	ml/mol	McGowan Calculated Property
Pc	2348.24	kPa	Relay (1.0-beta) Calculated Property
Inp	[2231.00; 2273.00]
Inp	2273.00		NIST
Inp	2268.00		NIST
Inp	Outlier 2231.00		NIST
Inp	2260.00		NIST
Inp	2261.00		NIST
Inp	2273.00		NIST
Tboil	658.02	K	Relay (1.0) Calculated Property
Tc	901.58	K	Relay (1.0) Calculated Property
Tfus	290.00 ± 0.60	K	NIST
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[57.90; 60.60]	kJ/mol	[423.60; 443.80]
ΔfusH	60.60	kJ/mol	423.60	NIST
ΔfusH	57.90	kJ/mol	442.90	NIST
ΔfusH	58.00	kJ/mol	443.80	NIST

Similar Compounds

Find more compounds similar to Pindolol.

Mixtures

• Carbon dioxide + Pindolol

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
• Solubility and Salting Behavior of Several ?-Adrenergic Blocking Agents in Liquid and Supercritical Carbon Dioxide
• Aqueous Solubility Prediction 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.