Chemical Properties of Amprotropine

InChI

InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3

InChI Key

ORXLOAFNULMXBG-UHFFFAOYSA-N

Formula

C18H29NO3

SMILES

CCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1

Molecular Weight¹

307.43

• 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).
• 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
ΔfusH°	36.96	kJ/mol	Joback Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.674		Crippen Calculated Property
McVol	264.010	ml/mol	McGowan Calculated Property
Inp	[2038.00; 2038.00]
Inp	2038.00		NIST
Inp	2038.00		NIST
Tfus	341.64	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.65; 896.26]	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			-5.35250e+01
Coefficient B			1.86978e+00
Coefficient C			-1.21000e-03
Coefficient D			2.90000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.65	J/mol×K	273.00	Calculated Property
Cp,gas	469.36	J/mol×K	353.78	Calculated Property
Cp,gas	554.30	J/mol×K	434.56	Calculated Property
Cp,gas	628.39	J/mol×K	515.33	Calculated Property
Cp,gas	692.53	J/mol×K	596.11	Calculated Property
Cp,gas	747.65	J/mol×K	676.89	Calculated Property
Cp,gas	794.67	J/mol×K	757.67	Calculated Property
Cp,gas	834.50	J/mol×K	838.44	Calculated Property
Cp,gas	868.05	J/mol×K	919.22	Calculated Property
Cp,gas	896.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Amprotropine.

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

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.