Chemical Properties of Cyproheptadine M (nor), acetylated

InChI

InChI=1S/C22H21NO/c1-16(24)23-14-12-19(13-15-23)22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-11H,12-15H2,1H3

InChI Key

UDWGIXOMTFQKAU-UHFFFAOYSA-N

Formula

C22H21NO

SMILES

CC(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

Molecular Weight¹

315.42

• IE : Ionization energy (eV).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	4.615		Crippen Calculated Property
McVol	254.550	ml/mol	McGowan Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	722.96	K	Relay (1.0) Calculated Property
Tfus	450.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 Cyproheptadine M (nor), acetylated.

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

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