Chemical Properties of Cytisine (CAS 485-35-8)

Cytisine

InChI
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
InChI Key
ANJTVLIZGCUXLD-UHFFFAOYSA-N
Formula
C11H14N2O
SMILES
O=c1cccc2n1CC1CNCC2C1
Molecular Weight1
190.24
CAS
485-35-8
Other Names
  • (-)-Cytisine
  • 1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, (1R)-
  • 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-
  • Baptitoxin
  • Baptitoxine
  • Citizin
  • Cystisine
  • Cytisin
  • Cytiton
  • Cytitone
  • Cytizin
  • Laburnin
  • Sophorin
  • Sophorine
  • Tabax
  • Tabex
  • Tsitizin
  • Ulexin
  • Ulexine
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Physical Properties

Property Value Unit Source
log10WS 0.36 Aq. Solubility Prediction
logPoct/wat 0.555 Crippen Calculated Property
McVol 146.200 ml/mol McGowan Calculated Property
Inp [1985.00; 1995.00]   Show Hide
Inp 1990.00 NIST
Inp 1992.00 NIST
Inp 1990.00 NIST
Inp 1990.00 NIST
Inp 1990.00 NIST
Inp 1987.00 NIST
Inp 1985.00 NIST
Inp 1985.00 NIST
Inp 1990.00 NIST
Inp 1995.00 NIST
Inp 1995.00 NIST
Inp 1990.00 NIST
Inp 1990.00 NIST
Inp 1985.00 NIST
Inp 1990.00 NIST
Inp 1995.00 NIST
Tfus 425.65 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 491.20 K 0.30 NIST

Similar Compounds

N-acetylcytisine. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. Camoensidine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. Anagyrine. Cytisine, N-formyl-. Caulophylline. Methyl-12-cytisine acetate. 11-Allylcytisine. Hydroxy-N-methylcytisine. Baptifoline. Sophoramine. Tinctorine. Epibaptifoline. Argentamin.

Find more compounds similar to Cytisine.

Sources

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