Chemical Properties of Benzquinamide M (O-des-Et), acetylated

Benzquinamide M (O-des-Et), acetylated

InChI
InChI=1S/C23H32N2O6/c1-6-24(7-2)23(28)18-13-25-9-8-16-10-22(31-15(4)27)21(29-5)11-17(16)19(25)12-20(18)30-14(3)26/h10-11,18-20H,6-9,12-13H2,1-5H3
InChI Key
WQUOYBGLIUNALZ-UHFFFAOYSA-N
Formula
C23H32N2O6
SMILES
CCN(CC)C(=O)C1CN2CCc3cc(OC(C)=O)c(OC)cc3C2CC1OC(C)=O
Molecular Weight1
432.51
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Physical Properties

Property Value Unit Source
ω 0.9393 Relay (1.0) Calculated Property
ΔfG° -297.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -985.20 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 130.90 kJ/mol Relay (1.0) Calculated Property
IE 7.39 eV Relay (1.0) Calculated Property
log10WS -2.04 Relay (1.0) Calculated Property
logPoct/wat 2.340 Crippen Calculated Property
McVol 331.730 ml/mol McGowan Calculated Property
Pc 765.69 kPa Relay (1.0-beta) Calculated Property
Inp 2990.00 NIST
Tboil 700.09 K Relay (1.0) Calculated Property
Tc 978.39 K Relay (1.0) Calculated Property
Tfus 418.49 K Relay (1.0) Calculated Property
Vc 1.201 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Retroisosensine. Retroisosenine. Benzquinamide M (N-des-Et), acetylated. Benzquinamide. Indane-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. [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-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Buprenorphine. Codeine-propionyl. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Dehydrojaconine. AJMALINE, M(HO-), AC. Ajmaline.

Find more compounds similar to Benzquinamide M (O-des-Et), acetylated.

Sources

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