Chemical Properties of Lysergol (CAS 602-85-7)

Lysergol

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/h2-5,7,10,15,17,19H,6,8-9H2,1H3
InChI Key
BIXJFIJYBLJTMK-UHFFFAOYSA-N
Formula
C16H18N2O
SMILES
CN1CC(CO)C=C2c3cccc4[nH]cc(c34)CC21
Molecular Weight1
254.33
CAS
602-85-7
Other Names
  • Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8«beta»)-
  • Ergoline-8«beta»-methanol, 9,10-didehydro-6-methyl-
  • Ergoline, 9,10-didehydro-8-hydroxymethyl-6-methyl-
  • Lysergole
  • LOL
  • 9,10-Didehydro-6-methyl-8-hydroxymethylergoline, (8«beta»)-
  • Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.
  • (6-Methyl-9,10-didehydroergolin-8-yl)methanol-, (8«beta»)-
  • NSC 196867
  • 9,10-didehydro-6-methylergoline-8«beta»-methanol
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Physical Properties

Property Value Unit Source
ω 0.7151 Relay (1.0) Calculated Property
ΔfG° 260.74 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 79.20 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 127.39 kJ/mol Relay (1.0) Calculated Property
IE 7.50 eV Relay (1.0) Calculated Property
log10WS -1.93 Relay (1.0) Calculated Property
logPoct/wat 1.548 Crippen Calculated Property
McVol 197.190 ml/mol McGowan Calculated Property
Pc 2340.31 kPa Relay (1.0-beta) Calculated Property
Inp [2630.00; 2630.00]   Show Hide
Inp 2630.00 NIST
Inp 2630.00 NIST
Tboil 679.66 K Relay (1.0) Calculated Property
Tc 1006.59 K Relay (1.0) Calculated Property
Tfus 423.51 K Relay (1.0) Calculated Property
Vc 0.722 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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. Ergocristine.

Find more compounds similar to Lysergol.

Sources

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