Chemical Properties of (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide (CAS 94079-67-1)

(2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide

InChI
InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
InChI Key
BPSWISYORIWKCT-FCGWLDPVSA-N
Formula
C20H25NO3
SMILES
CC(C)CN=C(O)C=CC=CCCC=Cc1ccc2c(c1)OCO2
Molecular Weight1
327.42
CAS
94079-67-1
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Physical Properties

Property Value Unit Source
ω 0.8973 Relay (1.0) Calculated Property
ΔfG° 81.15 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -370.16 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.59 kJ/mol Relay (1.0) Calculated Property
IE 7.76 eV Relay (1.0) Calculated Property
log10WS -5.53 Relay (1.0) Calculated Property
logPoct/wat 4.934 Crippen Calculated Property
McVol 268.430 ml/mol McGowan Calculated Property
Pc 1554.90 kPa Joback Calculated Property
Inp [3063.50; 3063.50]   Show Hide
Inp 3063.50 NIST
Inp 3063.50 NIST
Tboil 682.38 K Relay (1.0) Calculated Property
Tc 917.58 K Relay (1.0) Calculated Property
Tfus 421.18 K Relay (1.0) Calculated Property
Vc 0.929 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide. (2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide. Benazepril Me. Riboflavin, 2',3',4',5'-tetrapropanoate. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide.

Sources

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