Chemical Properties of (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one (CAS 147030-09-9)

(2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one

InChI
InChI=1S/C19H23NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4-5,8-11,14H,1-3,6-7,12-13,15H2/b8-4+,9-5+
InChI Key
HFKLKVAMFMBFCX-KBXRYBNXSA-N
Formula
C19H23NO3
SMILES
O=C(C=CCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1
Molecular Weight1
313.39
CAS
147030-09-9
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7264 Relay (1.0) Calculated Property
ΔfG° 87.88 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -358.91 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 106.92 kJ/mol Relay (1.0) Calculated Property
IE 7.84 eV Relay (1.0) Calculated Property
log10WS -4.37 Relay (1.0) Calculated Property
logPoct/wat 3.777 Crippen Calculated Property
McVol 247.780 ml/mol McGowan Calculated Property
Pc 1551.90 kPa Relay (1.0-beta) Calculated Property
Inp [2999.30; 2999.30]   Show Hide
Inp 2999.30 NIST
Inp 2999.30 NIST
Tboil 675.01 K Relay (1.0) Calculated Property
Tc 950.90 K Relay (1.0) Calculated Property
Tfus 372.49 K Relay (1.0) Calculated Property
Vc 0.895 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(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,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one. (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. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one. (E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undec-10-en-1-one. xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. ethyl eburnamenine-14-carboxylate. Quinine, trimethylsilyl ether. 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.

Find more compounds similar to (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.