Chemical Properties of 4-Nitro-3-carbethoxy-1,2,7-trimethylindole (CAS 52916-05-9)

4-Nitro-3-carbethoxy-1,2,7-trimethylindole

InChI
InChI=1S/C14H16N2O4/c1-5-20-14(17)11-9(3)15(4)13-8(2)6-7-10(12(11)13)16(18)19/h6-7H,5H2,1-4H3
InChI Key
OTGJOVPKDZGPDA-UHFFFAOYSA-N
Formula
C14H16N2O4
SMILES
CCOC(=O)c1c(C)n(C)c2c(C)ccc([N+](=O)[O-])c12
Molecular Weight1
276.29
CAS
52916-05-9
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Physical Properties

Property Value Unit Source
ω 0.7976 Relay (1.0) Calculated Property
ΔfG° 64.39 kJ/mol Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas -291.63 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 95.33 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 2.880 Crippen Calculated Property
McVol 204.040 ml/mol McGowan Calculated Property
Pc 1722.64 kPa Relay (1.0-beta) Calculated Property ⚠️
Tboil 624.95 K Relay (1.0) Calculated Property
Tc 923.44 K Relay (1.0) Calculated Property
Tfus 410.39 K Relay (1.0) Calculated Property
Vc 0.747 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

6-Nitro-3-carbethoxy-1,2,7-trimethylindole. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. 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 4-Nitro-3-carbethoxy-1,2,7-trimethylindole.

Sources

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