Chemical Properties of Anagyrine (CAS 486-89-5)

InChI

InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13-/m1/s1

InChI Key

FQEQMASDZFXSJI-FRRDWIJNSA-N

Formula

C15H20N2O

SMILES

O=c1cccc2n1CC1CC2CN2CCCCC12

Molecular Weight¹

244.33

CAS

486-89-5

Other Names

• 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«beta»,14«alpha»)]-
• Rhombinine
• Anagyrin
• Monolupin
• Monolupine
• Rhombinin

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.21		Relay (1.0) Calculated Property
logPoct/wat	1.820		Crippen Calculated Property
McVol	191.700	ml/mol	McGowan Calculated Property
Inp	[2375.00; 2408.00]
Inp	2390.00		NIST
Inp	Outlier 2406.00		NIST
Inp	Outlier 2408.00		NIST
Inp	2380.00		NIST
Inp	2390.00		NIST
Inp	2390.00		NIST
Inp	2387.00		NIST
Inp	2375.00		NIST
Inp	2375.00		NIST
Inp	2390.00		NIST
Inp	2380.00		NIST
Inp	2375.00		NIST
Inp	2390.00		NIST
Inp	2390.00		NIST
Inp	2380.00		NIST
Inp	2382.00		NIST
Inp	2375.00		NIST
Inp	2390.00		NIST
Tfus	399.69	K	Relay (1.0) Calculated Property

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.

Similar Compounds

Find more compounds similar to Anagyrine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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