Chemical Properties of Neopine (CAS 467-14-1)

Neopine

InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3
InChI Key
NNDKZTBFZTWKLA-UHFFFAOYSA-N
Formula
C18H21NO3
SMILES
COc1ccc2c3c1OC1C(O)CC=C4C(C2)N(C)CCC431
Molecular Weight1
299.36
CAS
467-14-1
Other Names
  • Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-
  • Morphinan-6«alpha»-ol, 8,14-didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl-
  • «beta»-Codeine
  • Neopin
  • 8,14-Didehydro-4,5«alpha»-epoxy-3-methoxy-17-methylmorphinan-6«alpha»-ol
  • (5«alpha»,6«alpha»)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
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Physical Properties

Property Value Unit Source
ω 0.6745 Relay (1.0) Calculated Property
ΔfG° 21.95 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -232.38 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 122.75 kJ/mol Relay (1.0) Calculated Property
IE 7.85 eV Relay (1.0) Calculated Property
log10WS -1.43 Relay (1.0) Calculated Property
logPoct/wat 1.645 Crippen Calculated Property
McVol 220.570 ml/mol McGowan Calculated Property
Pc 1603.43 kPa Relay (1.0-beta) Calculated Property
Inp 2395.00 NIST
Tboil 663.31 K Relay (1.0) Calculated Property
Tc 960.61 K Relay (1.0) Calculated Property
Tfus 423.34 K Relay (1.0) Calculated Property
Vc 0.847 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. 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. Xanthine riboside, TMS.

Find more compounds similar to Neopine.

Sources

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