Chemical Properties of Ergoline-8-methanol, 8,9-didehydro-6-methyl- (CAS 548-43-6)

Ergoline-8-methanol, 8,9-didehydro-6-methyl-

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InChI
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3
InChI Key
DAVNRFCJMIONPO-UHFFFAOYSA-N
Formula
C16H18N2O
SMILES
CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21
Molecular Weight1
254.33
CAS
548-43-6
Other Names
  • Elymoclavin
  • Elymoclavine
  • Elimoclavin
  • Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.
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Physical Properties

Property Value Unit Source
ω 0.6864 Relay (... Calculated Property
ΔfG° 288.20 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 87.90 kJ/mol Relay (... Calculated Property
ΔvapH° 130.42 kJ/mol Relay (... Calculated Property
IE 7.53 eV Relay (... Calculated Property
log10WS -1.77 Relay (... Calculated Property
logPoct/wat 1.558 Crippen Calculated Property
McVol 197.190 ml/mol McGowan Calculated Property
Pc 2427.10 kPa Relay (... Calculated Property ⚠️
Inp 2784.10 NIST
Tboil 667.13 K Relay (... Calculated Property
Tc 998.87 K Relay (... Calculated Property
Tfus 425.14 K Relay (... Calculated Property
Vc 0.716 m3/kmol Relay (... Calculated Property

Similar Compounds

Chanoclavine. 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 Ergoline-8-methanol, 8,9-didehydro-6-methyl-.

Sources

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