Chemical Properties of Atropic acid, p-chloro-, tropyl ester, hydrochloride (CAS 6746-91-4)

Atropic acid, p-chloro-, tropyl ester, hydrochloride

InChI
InChI=1S/C17H20ClNO2.ClH/c1-11(12-3-5-13(18)6-4-12)17(20)21-16-9-14-7-8-15(10-16)19(14)2;/h3-6,14-16H,1,7-10H2,2H3;1H
InChI Key
VHWRAEBQWGGCSL-UHFFFAOYSA-N
Formula
C17H21Cl2NO2
SMILES
C=C(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Cl)cc1.Cl
Molecular Weight1
342.26
CAS
6746-91-4
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Physical Properties

Property Value Unit Source
IE 8.14 eV Relay (1.0) Calculated Property
log10WS -3.57 Relay (1.0) Calculated Property

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 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.

Similar Compounds

Benzeneacetic acid, «alpha»-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-. Aposcopolamine. N-Acetyl Norapoatropine. Norapoatropine. 6-Hydroxyapoatropine. 2-P-methoxyphenyl-3-phenylacrylic acid, 3-tropanyl ester, hydrochloride. Phenylacetylscopine. 3.beta.-Feruloyloxytropane. DL-Homatropine, trimethylsilyl ether. Homatropine. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-. Tropate, TMS. Homatropine methyl bromide. Atropine, picolinyloxydimethylsilyl ether. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-.

Find more compounds similar to Atropic acid, p-chloro-, tropyl ester, hydrochloride.

Sources

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