Chemical Properties of 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane

2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane

InChI
InChI=1S/C22H33NO5/c1-16(2)23(17(3)24)13-22(28-18(4)25)15-27-21-9-7-19(8-10-21)11-12-26-14-20-5-6-20/h7-10,16,20,22H,5-6,11-15H2,1-4H3
InChI Key
LCDAJZUFFYUMTM-UHFFFAOYSA-N
Formula
C22H33NO5
SMILES
CC(=O)OC(COc1ccc(CCOCC2CC2)cc1)CN(C(C)=O)C(C)C
Molecular Weight1
391.51
Other Names
  • Betaxolol, acetylated
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Physical Properties

Property Value Unit Source
ΔfusH° 48.84 kJ/mol Joback Calculated Property
logPoct/wat 3.223 Crippen Calculated Property
McVol 316.950 ml/mol McGowan Calculated Property
Inp [2680.00; 2680.00]   Show Hide
Inp 2680.00 NIST
Inp 2680.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [456.99; 1085.74] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.72450e+01
Coefficient B2.03288e+00
Coefficient C-1.14106e-03
Coefficient D2.11160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 456.99 J/mol×K 273.00 Calculated Property
Cp,gas 568.48 J/mol×K 353.78 Calculated Property
Cp,gas 668.01 J/mol×K 434.56 Calculated Property
Cp,gas 756.23 J/mol×K 515.33 Calculated Property
Cp,gas 833.83 J/mol×K 596.11 Calculated Property
Cp,gas 901.47 J/mol×K 676.89 Calculated Property
Cp,gas 959.81 J/mol×K 757.67 Calculated Property
Cp,gas 1009.52 J/mol×K 838.44 Calculated Property
Cp,gas 1051.27 J/mol×K 919.22 Calculated Property
Cp,gas 1085.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene. Metoprolol, HFB. Carteolol hydroxy, acetylated. Carteolol, PFB-TMS. Nadolol, N-methyl-, trimethyl ether. Moexipril desethyl 3Me (Moexprilate 3Me). Cialis. Moexipril Me. Quinapril desethyl 3Me (Quinaprilate 3Me). Moexipril desethyl - H2O Me (Moexprilate - H2O Me). 3'-Acetylheliosupine. 7-diacetylintermedine. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro. Prajmaline.

Find more compounds similar to 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane.

Sources

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