Chemical Properties of ethyl eburnamenine-14-carboxylate

ethyl eburnamenine-14-carboxylate

InChI
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3
InChI Key
DDNCQMVWWZOMLN-UHFFFAOYSA-N
Formula
C22H26N2O2
SMILES
CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32
Molecular Weight1
350.46
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Physical Properties

Property Value Unit Source
ω 0.7531 Relay (1.0) Calculated Property
ΔfG° 174.93 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -159.82 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 118.20 kJ/mol Relay (1.0) Calculated Property
IE 7.17 eV Relay (1.0) Calculated Property
log10WS -4.84 Aq. Solubility Prediction
logPoct/wat 4.148 Crippen Calculated Property
McVol 272.440 ml/mol McGowan Calculated Property
Pc 922.24 kPa Relay (1.0-beta) Calculated Property
Tboil 710.01 K Relay (1.0) Calculated Property
Tc 1024.63 K Relay (1.0) Calculated Property
Tfus 406.52 K Relay (1.0) Calculated Property
Vc 1.023 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Ajmaline. 3-O,6-O,N-Triacetylnormorphine. Normorphine TMS. Strychnine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Benzylmorphine. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Hydromorphone, trimethylsilyl ether. Galantamin. Paclitaxel. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Dihydroergokryptine. Nicocodine.

Find more compounds similar to ethyl eburnamenine-14-carboxylate.

Sources

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