Chemical Properties of Amprotropine (CAS 148-32-3)

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

CAS

148-32-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8728		Relay (1.0) Calculated Property
ΔfG°	-46.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-621.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.38	kJ/mol	Joback Calculated Property
ΔvapH°	91.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.79	eV	Relay (1.0) 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
Pc	1663.26	kPa	Joback Calculated Property
Inp	[2038.00; 2038.00]
Inp	2038.00		NIST
Inp	2038.00		NIST
Tboil	626.67	K	Relay (1.0) Calculated Property
Tc	841.55	K	Relay (1.0) Calculated Property
Tfus	345.11	K	Relay (1.0) Calculated Property
Vc	0.936	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[821.15; 899.71]	J/mol×K	[815.16; 1012.28]
Cp,gas	821.15	J/mol×K	815.16	Joback Calculated Property
Cp,gas	836.49	J/mol×K	848.01	Joback Calculated Property
Cp,gas	850.86	J/mol×K	880.87	Joback Calculated Property
Cp,gas	864.30	J/mol×K	913.72	Joback Calculated Property
Cp,gas	876.88	J/mol×K	946.57	Joback Calculated Property
Cp,gas	888.67	J/mol×K	979.43	Joback Calculated Property
Cp,gas	899.71	J/mol×K	1012.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amprotropine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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