Chemical Properties of Carteolol, acetylated

Carteolol, acetylated

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InChI
InChI=1S/C21H30N2O5/c1-14(24)23(21(3,4)5)12-11-16(28-15(2)25)13-27-19-8-6-7-18-17(19)9-10-20(26)22-18/h6-8,16H,9-13H2,1-5H3,(H,22,26)
InChI Key
TYXHTZYLZMBLJV-UHFFFAOYSA-N
Formula
C21H30N2O5
SMILES
CC(=O)OC(CCN(C(C)=O)C(C)(C)C)COc1cccc2c1CCC(=O)N2
Molecular Weight1
390.47
Sources

Physical Properties

Property Value Unit Source
Δf -116.09 kJ/mol Joback Calculated Property
Δfgas -712.19 kJ/mol Joback Calculated Property
Δfus 45.13 kJ/mol Joback Calculated Property
Δvap 96.01 kJ/mol Joback Calculated Property
logPoct/wat 2.92 Crippen Calculated Property
Pc 1516.39 kPa Joback Calculated Property
Tboil 1009.92 K Joback Calculated Property
Tc 1245.42 K Joback Calculated Property
Tfus 734.01 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1041.98 J/mol×K 1009.92 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Carteolol hydroxy, acetylated. Carteolol, PFB-TMS. AJMALINE, M(DIHYDRO-), AC. AJMALINE, M(NOR-), AC. AJMALINE, AC. AJMALINE, M(HO-), AC. Strychnine. Nalmefene, bis(trifluoroacetate). Oxycodone. Brucine. Naloxone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Codeinone, 14-hydroxy-. Oxymorphone. Naltrexone.

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