Chemical Properties of Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)- (CAS 55334-03-7)

Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-

InChI
InChI=1S/C20H31NO3Si/c1-21-16-10-11-17(21)13-18(12-16)24-20(22)19(14-23-25(2,3)4)15-8-6-5-7-9-15/h5-9,16-19H,10-14H2,1-4H3
InChI Key
ZYDHKQGYYADXRL-UHFFFAOYSA-N
Formula
C20H31NO3Si
SMILES
CN1C2CCC1CC(OC(=O)C(CO[Si](C)(C)C)c1ccccc1)C2
Molecular Weight1
361.55
CAS
55334-03-7
Other Names
  • Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-
  • Monotrimethylsilyl derivative of Atropine
  • Atropine TMS derivative
  • Atropine, o-trimethylsilyl-
  • Atropine, trimethylsilyl ether
  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-phenyl-3-[(trimethylsilyl)oxy]propanoate
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Physical Properties

Property Value Unit Source
IE 7.99 eV Relay (1.0) Calculated Property
log10WS -2.62 Relay (1.0) Calculated Property
logPoct/wat 3.790 Crippen Calculated Property
Inp [2298.60; 2298.60]   Show Hide
Inp 2298.60 NIST
Inp 2298.60 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 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»-[[(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. Noratropine, N-trimethylsilyl-, trimethylsilyl ether. Atropine, picolinyloxydimethylsilyl ether. 3-Tropoyloxy-6-acetoxytropane. 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. Atropine acetate. Methylscopolamine. Scopolamine. Aposcopolamine. 6-(2-Methylbutyryloxy)-hyoscyamine. Aponorscopolamine. Norscopolamine.

Find more compounds similar to Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-.

Sources

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