Chemical Properties of Aponorscopolamine

Aponorscopolamine

InChI
InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10?,11?,12-,13+,14-,15+
InChI Key
MOYZEMOPQDTDHA-ZOONQSOGSA-N
Formula
C16H19NO4
SMILES
O=C(OC1CC2NC(C1)C1OC21)C(CO)c1ccccc1
Molecular Weight1
289.33
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Physical Properties

Property Value Unit Source
ΔfusH° 48.70 kJ/mol Joback Calculated Property
log10WS -2.30 Relay (1.0) Calculated Property
logPoct/wat 0.576 Crippen Calculated Property
McVol 209.120 ml/mol McGowan Calculated Property
Inp 2056.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [702.09; 777.18] J/mol×K [846.57; 1069.63] Show Hide
Cp,gas 702.09 J/mol×K 846.57 Joback Calculated Property
Cp,gas 716.52 J/mol×K 883.75 Joback Calculated Property
Cp,gas 730.04 J/mol×K 920.92 Joback Calculated Property
Cp,gas 742.75 J/mol×K 958.10 Joback Calculated Property
Cp,gas 754.78 J/mol×K 995.28 Joback Calculated Property
Cp,gas 766.22 J/mol×K 1032.45 Joback Calculated Property
Cp,gas 777.18 J/mol×K 1069.63 Joback Calculated Property

Similar Compounds

Norscopolamine. Aposcopolamine. Scopolamine. Methylscopolamine. 6«beta»-Hydroxyhyoscyamine. Tropic acid, 6-hydroxy-3-tropanyl ester. 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester. 6-Tigloyloxyhyoscyamine. 3-(2'-Hydroxytropoyloxy)-6,7-epoxytropane. Dihydrocodeine tms derivative. Ergocristine. ERGOTAMINE. Hydromorphone, trimethylsilyl ether. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ajmaline.

Find more compounds similar to Aponorscopolamine.

Sources

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