Chemical Properties of 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene

1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C20H29NO6/c1-14(2)21(15(3)22)12-20(27-17(5)24)13-26-19-8-6-18(7-9-19)10-11-25-16(4)23/h6-9,14,20H,10-13H2,1-5H3
InChI Key
FNJVJYPQOZGHTN-UHFFFAOYSA-N
Formula
C20H29NO6
SMILES
CC(=O)OCCc1ccc(OCC(CN(C(C)=O)C(C)C)OC(C)=O)cc1
Molecular Weight1
379.45
Other Names
  • Betaxolol, O-desalkyl, acetylated
Sources

Physical Properties

Property Value Unit Source
Δf -375.56 kJ/mol Joback Calculated Property
Δfgas -908.50 kJ/mol Joback Calculated Property
Δfus 45.54 kJ/mol Joback Calculated Property
Δvap 91.79 kJ/mol Joback Calculated Property
logPoct/wat 2.36 Crippen Calculated Property
Pc 1402.74 kPa Joback Calculated Property
Tboil 929.09 K Joback Calculated Property
Tc 1142.66 K Joback Calculated Property
Tfus 573.05 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 965.24 J/mol×K 929.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 3
>C=O (nonring) 3
=CH- (ring) 4
-CH2- 4
=C< (ring) 2
>N- 1
-CH3 5

Similar Compounds

2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane. Alprenolol, N,O-di(acetyl)-. Bunitrolol, acetylated. Toliprolol hydroxy, acetylated. Bupranolol, acetylated. Toliprolol, TFA. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-(4-acetoxy-2-allylphenoxy)propane. 2-Acetoxy-3-(2-cyclopentylphenoxy)propylamine, N-acetyl-N-tert butyl-. Oxprenolol, TFA. Propranolol hydroxy, acetylated. Metipranolol, desacetyl, acetylated. Propranolol bis(trifluoroacetate). Bunitrolol hydroxy, acetylated. Penbutolol hydroxy, acetylated. Bupranolol, hydroxy, acetylated.

Find more compounds similar to 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene.

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.