Chemical Properties of Nadolol (CAS 42200-33-9)

InChI

InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3

InChI Key

VWPOSFSPZNDTMJ-UHFFFAOYSA-N

Formula

C17H27NO4

SMILES

CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2

Molecular Weight¹

309.40

CAS

42200-33-9

Other Names

• 1-(tert-Butylamino)-3-((5,6,7,8-tetrahydro-cis-6,7-dihydroxy-1-naphthyl)oxy)-2-propanol
• 2,3-Naphthalenediol, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-
• 2,3-Naphthalenediol, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-, cis-
• 2,3-cis-1,2,3,4-Tetrahydro-5-((2-hydroxy-3-tert-butylamino)propoxy)-2,3-naphthalenediol
• 5-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-2,3-naphthalenediol
• 5-(3-(tert-butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol
• 5-[3-(tert-Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol, cis-
• Anabet
• Corgard
• SQ 11725
• Solgol

• 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).
• 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
ΔfG°	-199.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.79	kJ/mol	Joback Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
ΔvapH°	114.01	kJ/mol	Joback Calculated Property
log10WS	-1.01		Aq. Sol...
logPoct/wat	0.635		Crippen Calculated Property
McVol	249.230	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Inp	2633.00		NIST
Tboil	976.80	K	Joback Calculated Property
Tc	1195.88	K	Joback Calculated Property
Tfus	[400.65; 403.40]	K
Tfus	400.65	K	Aq. Sol...
Tfus	403.40	K	Solubil...
Vc	0.920	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.39; 928.48]	J/mol×K	[976.80; 1195.88]
Cp,gas	865.39	J/mol×K	976.80	Joback Calculated Property
Cp,gas	877.76	J/mol×K	1013.31	Joback Calculated Property
Cp,gas	889.28	J/mol×K	1049.83	Joback Calculated Property
Cp,gas	900.04	J/mol×K	1086.34	Joback Calculated Property
Cp,gas	910.10	J/mol×K	1122.85	Joback Calculated Property
Cp,gas	919.56	J/mol×K	1159.37	Joback Calculated Property
Cp,gas	928.48	J/mol×K	1195.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nadolol.

Mixtures

• Nadolol + Water
• Nadolol + Ethanol
• Nadolol + 1-Octanol

Sources

• Crippen Method
• Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol
• Joback Method
• 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.