Chemical Properties of N-Methylserotonin, diTMS

InChI

InChI=1S/C17H30N2OSi2/c1-18-11-10-14-13-19(21(2,3)4)17-9-8-15(12-16(14)17)20-22(5,6)7/h8-9,12-13,18H,10-11H2,1-7H3

InChI Key

MVCNBQDDVPZNDW-UHFFFAOYSA-N

Formula

C17H30N2OSi2

SMILES

CNCCc1cn([Si](C)(C)C)c2ccc(O[Si](C)(C)C)cc12

Molecular Weight¹

334.60

• 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.
• 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	0.7428		Relay (1.0) Calculated Property
ΔfG°	212.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-345.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.64	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	4.300		Crippen Calculated Property
Pc	767.05	kPa	Relay (1.0-beta) Calculated Property
Inp	[2120.00; 2120.00]
Inp	2120.00		NIST
Inp	2120.00		NIST
Tboil	639.11	K	Relay (1.0) Calculated Property
Tc	861.29	K	Relay (1.0) Calculated Property
Tfus	378.51	K	Relay (1.0) Calculated Property
Vc	1.081	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Methylserotonin, diTMS.

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
• NIST Webbook

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