Chemical Properties of Emetine (CAS 483-18-1)

Emetine

InChI
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3
InChI Key
AUVVAXYIELKVAI-UHFFFAOYSA-N
Formula
C29H40N2O4
SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21
Molecular Weight1
480.64
CAS
483-18-1
Other Names
  • Emetan, 6',7',10,11-tetramethoxy-
  • 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-
  • Cephaeline methyl ether
  • NSC 33669
  • 6',7',10,11-Tetramethoxyemetan
  • Emetin
  • 316-42-7 (chloride)
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 1.0007 Relay (1.0) Calculated Property
ΔfG° 136.45 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -442.07 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 166.09 kJ/mol Relay (1.0) Calculated Property
IE 6.89 eV Relay (1.0) Calculated Property
log10WS -4.34 Relay (1.0) Calculated Property
logPoct/wat 4.943 Crippen Calculated Property
McVol 382.810 ml/mol McGowan Calculated Property
Pc 62.77 kPa Relay (1.0-beta) Calculated Property
Tboil 796.88 K Relay (1.0) Calculated Property
Tc 1101.72 K Relay (1.0) Calculated Property
Tfus 463.72 K Relay (1.0) Calculated Property
Vc 1.395 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Retroisosenine. Retroisosensine. Benzquinamide M (O-des-Et), acetylated. (+)-Roemerine. N-Methyllaurotetanine. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. adenosine-3'-monophosphate, TMS. [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»)-. Buprenorphine. Nicocodine. Pholcodine. Hydromorphone, tert-butyldimethylsilyl ether. Hydromorphone, trimethylsilyl ether. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Galantamin.

Find more compounds similar to Emetine.

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.