Chemical Properties of (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one (CAS 107584-38-3)

(2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one

InChI
InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
InChI Key
KAYVDASZRFLFRZ-PQECNABGSA-N
Formula
C21H25NO3
SMILES
O=C(C=CC=CCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1
Molecular Weight1
339.43
CAS
107584-38-3
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Physical Properties

Property Value Unit Source
ω 0.7346 Relay (1.0) Calculated Property
ΔfG° 140.03 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -326.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.35 kJ/mol Relay (1.0) Calculated Property
IE 7.68 eV Relay (1.0) Calculated Property
log10WS -4.87 Relay (1.0) Calculated Property
logPoct/wat 4.334 Crippen Calculated Property
McVol 271.660 ml/mol McGowan Calculated Property
Pc 1363.08 kPa Relay (1.0-beta) Calculated Property
Inp [3327.70; 3327.70]   Show Hide
Inp 3327.70 NIST
Inp 3327.70 NIST
Tboil 689.57 K Relay (1.0) Calculated Property
Tc 967.78 K Relay (1.0) Calculated Property
Tfus 397.60 K Relay (1.0) Calculated Property
Vc 0.958 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(2E,4E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,4,10-trien-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,4,8-trien-1-one. (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one. Chavicine. Piperine. Quinine, trimethylsilyl ether. ethyl eburnamenine-14-carboxylate. inosine-5'-monophosphate, TMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Benazepril Me. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Moexipril Me.

Find more compounds similar to (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one.

Sources

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