Chemical Properties of Chavicine (CAS 495-91-0)

Chavicine

InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3-
InChI Key
MXXWOMGUGJBKIW-PORYWJCVSA-N
Formula
C17H19NO3
SMILES
O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1
Molecular Weight1
285.34
CAS
495-91-0
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Physical Properties

Property Value Unit Source
ω 0.6610 Relay (1.0) Calculated Property
ΔfG° 62.47 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -304.37 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.32 kJ/mol Relay (1.0) Calculated Property
IE 7.65 eV Relay (1.0) Calculated Property
log10WS -3.80 Relay (1.0) Calculated Property
logPoct/wat 2.997 Crippen Calculated Property
McVol 219.600 ml/mol McGowan Calculated Property
Pc 1910.09 kPa Relay (1.0-beta) Calculated Property
Inp [2649.60; 2649.60]   Show Hide
Inp 2649.60 NIST
Inp 2649.60 NIST
Tboil 663.52 K Relay (1.0) Calculated Property
Tc 935.64 K Relay (1.0) Calculated Property
Tfus 412.95 K Relay (1.0) Calculated Property
Vc 0.789 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Piperine. Pyrrolidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-. (2E,4E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-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)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one. (2E,6E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hepta-2,6-dien-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-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. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpenta-2,4-dienamide. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one.

Find more compounds similar to Chavicine.

Sources

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