Chemical Properties of N-cyano-n-methyl-5alpha-pregnan-18-amine (CAS 76938-41-5)

InChI

InChI=1S/C23H38N2/c1-4-17-9-11-21-19-10-8-18-7-5-6-13-22(18,2)20(19)12-14-23(17,21)15-25(3)16-24/h17-21H,4-15H2,1-3H3

InChI Key

LFUCSBAKSOGICG-UHFFFAOYSA-N

Formula

C23H38N2

SMILES

CCC1CCC2C3CCC4CCCCC4(C)C3CCC12CN(C)C#N

Molecular Weight¹

342.56

CAS

76938-41-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.99; 1182.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.20448e+02
Coefficient B			3.30746e+00
Coefficient C			-2.85680e-03
Coefficient D			1.05270e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.99	J/mol×K	273.00	Calculated Property
Cp,gas	538.72	J/mol×K	353.78	Calculated Property
Cp,gas	663.74	J/mol×K	434.56	Calculated Property
Cp,gas	769.39	J/mol×K	515.33	Calculated Property
Cp,gas	859.00	J/mol×K	596.11	Calculated Property
Cp,gas	935.89	J/mol×K	676.89	Calculated Property
Cp,gas	1003.40	J/mol×K	757.67	Calculated Property
Cp,gas	1064.85	J/mol×K	838.44	Calculated Property
Cp,gas	1123.58	J/mol×K	919.22	Calculated Property
Cp,gas	1182.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-cyano-n-methyl-5alpha-pregnan-18-amine.

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
• Joback Method
• McGowan Method
• NIST Webbook

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