Chemical Properties of AJMALINE, M(DIHYDRO-), AC

AJMALINE, M(DIHYDRO-), AC

InChI
InChI=1S/C26H34N2O5/c1-6-17(13-32-15(3)30)18-11-21-24-26(19-9-7-8-10-20(19)27(24)5)12-22(28(21)14(2)29)23(18)25(26)33-16(4)31/h7-10,17-18,21-25H,6,11-13H2,1-5H3/t17?,18?,21?,22?,23-,24?,25-,26-/m1/s1
InChI Key
FZAYDNXVXJSNCW-NPGWOCDOSA-N
Formula
C26H34N2O5
SMILES
CCC(COC(C)=O)C1CC2C3N(C)c4ccccc4C34CC(C1C4OC(C)=O)N2C(C)=O
Molecular Weight1
454.56
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Physical Properties

Property Value Unit Source
ω 0.8232 Relay (1.0) Calculated Property
Δf -109.34 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -763.83 kJ/mol Relay (1.0) Calculated Property
Δvap 147.01 kJ/mol Relay (1.0) Calculated Property
IE 7.21 eV Relay (1.0) Calculated Property
log10WS -3.36 Relay (1.0) Calculated Property
logPoct/wat 2.903 Crippen Calculated Property
McVol 346.410 ml/mol McGowan Calculated Property
Pc 715.46 kPa Relay (1.0-beta) Calculated Property
Inp 3065.00 NIST
Tboil 701.33 K Relay (1.0) Calculated Property
Tc 1046.58 K Relay (1.0) Calculated Property
Tfus 394.55 K Relay (1.0) Calculated Property
Vc 1.267 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [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»)-. Dihydroergokryptine. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to AJMALINE, M(DIHYDRO-), AC.

Sources

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