Chemical Properties of Lysergic acid N-(methylpropyl)amide (CAS 40158-98-3)

InChI

InChI=1S/C20H25N3O/c1-4-8-22(2)20(24)14-9-16-15-6-5-7-17-19(15)13(11-21-17)10-18(16)23(3)12-14/h5-7,9,11,14,18,21H,4,8,10,12H2,1-3H3

InChI Key

CZRJGQXHVRNZRZ-UHFFFAOYSA-N

Formula

C20H25N3O

SMILES

CCCN(C)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1

Molecular Weight¹

323.43

CAS

40158-98-3

Other Names

• Lampa

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6877		Relay (1.0) Calculated Property
ΔfG°	360.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	56.48	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.48	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	259.230	ml/mol	McGowan Calculated Property
Pc	1507.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[3340.30; 3340.30]
Inp	3340.30		NIST
Inp	3340.30		NIST
Tboil	688.21	K	Relay (1.0) Calculated Property
Tc	1016.62	K	Relay (1.0) Calculated Property
Tfus	387.62	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Lysergic acid N-(methylpropyl)amide.

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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