Chemical Properties of Nomifensine M(HO-methoxy), diacetylated

Nomifensine M(HO-methoxy), diacetylated

InChI
InChI=1S/C21H24N2O4/c1-13(24)22-21-17-12-23(3)11-16(15-8-6-5-7-9-15)20(17)18(27-14(2)25)10-19(21)26-4/h5-10,16H,11-12H2,1-4H3,(H,22,24)
InChI Key
VRHQHHTYSZOVRA-UHFFFAOYSA-N
Formula
C21H24N2O4
SMILES
COc1cc(OC(C)=O)c2c(c1NC(C)=O)CN(C)CC2c1ccccc1
Molecular Weight1
368.43
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Physical Properties

Property Value Unit Source
ω 0.8603 Relay (1.0) Calculated Property
ΔfG° -49.54 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -464.16 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.33 kJ/mol Relay (1.0) Calculated Property
IE 7.48 eV Relay (1.0) Calculated Property
log10WS -2.86 Relay (1.0) Calculated Property
logPoct/wat 3.156 Crippen Calculated Property
McVol 283.210 ml/mol McGowan Calculated Property
Pc 1488.40 kPa Relay (1.0-beta) Calculated Property
Inp 2970.00 NIST
Tboil 701.98 K Relay (1.0) Calculated Property
Tc 1010.02 K Relay (1.0) Calculated Property
Tfus 440.50 K Relay (1.0) Calculated Property
Vc 1.003 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nomifensine M(HO), diacetylated, isomer # 1. 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 Nomifensine M(HO-methoxy), diacetylated.

Sources

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