Chemical Properties of [2-(azepan-1-yl)-2-oxoethyl] benzoate

[2-(azepan-1-yl)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H19NO3/c17-14(16-10-6-1-2-7-11-16)12-19-15(18)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChI Key
FZBXGZBXWFNCQY-UHFFFAOYSA-N
Formula
C15H19NO3
SMILES
O=C(OCC(=O)N1CCCCCC1)c1ccccc1
Molecular Weight1
261.32
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Physical Properties

Property Value Unit Source
ω 0.6683 Relay (1.0) Calculated Property
ΔfH°gas -472.77 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 93.04 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -2.54 Aq. Solubility Prediction
logPoct/wat 2.246 Crippen Calculated Property
McVol 206.580 ml/mol McGowan Calculated Property
Pc 2022.17 kPa Relay (1.0-beta) Calculated Property
Tboil 629.46 K Relay (1.0) Calculated Property
Tc 871.02 K Relay (1.0) Calculated Property
Tfus 380.65 K Aq. Solubility Prediction
Vc 0.738 m3/kmol Relay (1.0) Calculated Property

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Similar Compounds

(2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. [2-(dipropylamino)-2-oxoethyl] benzoate. [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. methyl 1-[2-(benzoyloxy)acetyl]pyrrolidine-2-carboxylate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. Piperocaine.

Find more compounds similar to [2-(azepan-1-yl)-2-oxoethyl] benzoate.

Sources

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