Chemical Properties of 1-Azabicyclo[2.2.2]octane-4-ol acetate(ester) (CAS 26458-76-4)

1-Azabicyclo[2.2.2]octane-4-ol acetate(ester)

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InChI
InChI=1S/C9H15NO2/c1-8(11)12-9-2-5-10(6-3-9)7-4-9/h2-7H2,1H3
InChI Key
XTKZIFBRSPNTJD-UHFFFAOYSA-N
Formula
C9H15NO2
SMILES
CC(=O)OC12CCN(CC1)CC2
Molecular Weight1
169.22
CAS
26458-76-4
Other Names
  • 4-Acetoxy-1-azabicyclo[2.2.2]octane
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Physical Properties

Property Value Unit Source
ω 0.4633 Relay (... Calculated Property
ΔfG° -154.26 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -400.38 kJ/mol Relay (... Calculated Property
ΔvapH° 63.04 kJ/mol Relay (... Calculated Property
IE 8.42 ± 0.01 eV NIST
log10WS 0.24 Relay (... Calculated Property
logPoct/wat 0.788 Crippen Calculated Property
McVol 133.370 ml/mol McGowan Calculated Property
Pc 3383.23 kPa Relay (... Calculated Property ⚠️
Tboil 481.00 K Relay (... Calculated Property
Tc 737.86 K Relay (... Calculated Property
Tfus 400.78 K Relay (... Calculated Property
Vc 0.473 m3/kmol Relay (... Calculated Property

Similar Compounds

1-Azabicyclo[2.2.2]octan-4-ol. Malonic dilactone, alpha-[2-(diethylamino)ethyl]-cis-1(me),3(h),4(h)-cis-3(h)-1,8-dihydroxy-3-p-menthyl. 3-Acetoxytropane. 3«alpha»-Acetoxytropane. 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, acetate (ester), endo-. 8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-acetate(ester),exo-. Fenspiride. 3«alpha»-Isobutyroxytropane. 4,6-Ethano-1h,8h-pyrano[3,4-c]pyran-1,8-dione, hexahydro-3,3,6-trimethyl-8a-[2-(dimethylamino)ethyl]-. 1-Piperidinepropanoic acid, ethyl ester. 3«alpha»-Propionyloxytropane. Malonic dilactone, alpha-[2-(morpholino)ethyl]-cis-1(me),3(h),4(h)-cis-3(h)-1,8-dihydroxy-3-p-menthyl. Isonipecotic acid, N-acryloyl-, butyl ester. 8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester). 3-(Hydroxyacetoxy)-tropane.

Find more compounds similar to 1-Azabicyclo[2.2.2]octane-4-ol acetate(ester).

Sources

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