Chemical Properties of Lysergamide (CAS 478-94-4)

Lysergamide

InChI
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)
InChI Key
GENAHGKEFJLNJB-UHFFFAOYSA-N
Formula
C16H17N3O
SMILES
CN1CC(C(N)=O)C=C2c3cccc4[nH]cc(c34)CC21
Molecular Weight1
267.33
CAS
478-94-4
Other Names
  • Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-, (8«beta»)-
  • Ergine
  • 9,10-Didehydro-6-methyl-ergoline-8-«beta»-carboxamide
  • Lysergic acid amide
  • Lysergic amide
  • (+)-Lysergamide
  • D-Lysergic acid amide
  • Ergoline-8«beta»-carboxamide, 9,10-didehydro-6-methyl-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6548 Relay (1.0) Calculated Property
ΔfG° 302.38 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 69.82 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 118.87 kJ/mol Relay (1.0) Calculated Property
IE 7.77 eV Relay (1.0) Calculated Property
log10WS -2.20 Relay (1.0) Calculated Property
logPoct/wat 1.041 Crippen Calculated Property
McVol 202.870 ml/mol McGowan Calculated Property
Pc 2343.74 kPa Relay (1.0-beta) Calculated Property
Tboil 670.72 K Relay (1.0) Calculated Property
Tc 1036.43 K Relay (1.0) Calculated Property
Tfus 454.67 K Relay (1.0) Calculated Property
Vc 0.741 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Lysergic acid N-(methylpropyl)amide. D-Lysergic acid N,N-diethylamide. ethyl eburnamenine-14-carboxylate. 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 Lysergamide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.