Chemical Properties of Genisteine (CAS 446-95-7)

Genisteine

InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13+,14-,15-/m1/s1
InChI Key
SLRCCWJSBJZJBV-LXTVHRRPSA-N
Formula
C15H26N2
SMILES
C1CCN2CC3CC(CN4CCCCC34)C2C1
Molecular Weight1
234.38
CAS
446-95-7
Other Names
  • 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, [7S-(7«alpha»,7a«alpha»,14«alpha»,14a«alpha»)]-
  • 11-Isosparteine
  • «alpha»-Isospartein
  • «alpha»-Isosparteine
  • L-«alpha»-Isospartein
  • Isosparteine, «alpha»
  • [7S-(7«alpha»,7a«alpha»,14«alpha»,14a«alpha»)]-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine
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
ΔvapH° 85.26 kJ/mol Relay (1.0) Calculated Property
IE 7.16 eV Relay (1.0) Calculated Property
log10WS -2.40 Relay (1.0) Calculated Property
logPoct/wat 2.345 Crippen Calculated Property
McVol 198.730 ml/mol McGowan Calculated Property
Inp [1701.00; 1758.00]   Show Hide
Inp 1701.00 NIST
Inp 1706.00 NIST
Inp 1725.00 NIST
Inp 1750.00 NIST
Inp 1758.00 NIST
Inp 1710.00 NIST
Inp 1712.00 NIST
Inp 1710.00 NIST
Inp 1725.00 NIST
Inp 1758.00 NIST
Inp 1701.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Sparteine. 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, [7S-(7«alpha»,7a«beta»,14«alpha»,14a«beta»)]-. 11,12-Dihydrosparteine. 1-[[(1S)-2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione. 2,6-Piperidinedione, 1-[(octahydro-2H-quinolizin-1-yl)methyl]-, (1R-cis)-. Adamantane, 2-(1-piperazinyl). Multiflorine. Dihydromultiflorine. Lupanine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7«alpha»,7a«alpha»,14«alpha»,14a«alpha»)]-. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-3-methyl-. Matrine. Dihydrolusitanine. N-formyltetrahydrocytisine. 17-Oxo-.beta.-isosparteine.

Find more compounds similar to Genisteine.

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.
These property values are available through the Cheméo API. A free account gives you an access key.