Chemical Properties of Sophoramine (CAS 6882-66-2)

Sophoramine

InChI
InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2
InChI Key
MMCQRJPAMIHLQX-UHFFFAOYSA-N
Formula
C15H20N2O
SMILES
O=c1cccc2n1CC1CCCN3CCCC2C13
Molecular Weight1
244.33
CAS
6882-66-2
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Physical Properties

Property Value Unit Source
ω 0.5448 Relay (1.0) Calculated Property
ΔfG° 211.36 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -91.72 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 103.03 kJ/mol Relay (1.0) Calculated Property
IE 7.60 eV Relay (1.0) Calculated Property
log10WS -1.05 Relay (1.0) Calculated Property
logPoct/wat 1.820 Crippen Calculated Property
McVol 191.700 ml/mol McGowan Calculated Property
Pc 2239.11 kPa Relay (1.0-beta) Calculated Property
Inp 2274.00 NIST
Tboil 647.88 K Relay (1.0) Calculated Property
Tc 922.03 K Relay (1.0) Calculated Property
Tfus 412.27 K Relay (1.0) Calculated Property
Vc 0.703 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Tinctorine. Strychnine. Galantamin. 3-O,6-O,N-Triacetylnormorphine. acetylepibaptifoline. Hydromorphone, tert-butyldimethylsilyl ether. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Benzylmorphine. Xanthine riboside, TMS. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Norcodeine. 3-propionyl-morphine. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [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»)-.

Find more compounds similar to Sophoramine.

Sources

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