Chemical Properties of (.+/-.)-N-Hydroxy-3,4-methylenedioxyamphetamine, trimethylsilyl ether

InChI

InChI=1S/C13H21NO3Si/c1-10(14-17-18(2,3)4)7-11-5-6-12-13(8-11)16-9-15-12/h5-6,8,10,14H,7,9H2,1-4H3

InChI Key

MXAFNSUVVHTUMH-UHFFFAOYSA-N

Formula

C13H21NO3Si

SMILES

CC(Cc1ccc2c(c1)OCO2)NO[Si](C)(C)C

Molecular Weight¹

267.40

Other Names

• N-hydroxy-3,4-(methylenedioxy)amphetamine, tms derivative

• 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	0.6482		Relay (... Calculated Property
ΔfG°	-62.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-446.09	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.38	kJ/mol	Relay (... Calculated Property
IE	7.86	eV	Relay (... Calculated Property
log10WS	-2.24		Relay (... Calculated Property
logPoct/wat	2.702		Crippen Calculated Property
Pc	1607.76	kPa	Relay (... Calculated Property ⚠️
Inp	[1740.20; 1740.20]
Inp	1740.20		NIST
Inp	1740.20		NIST
Tboil	578.64	K	Relay (... Calculated Property
Tc	788.90	K	Relay (... Calculated Property
Tfus	330.02	K	Relay (... Calculated Property
Vc	0.816	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-N-Hydroxy-3,4-methylenedioxyamphetamine, trimethylsilyl ether.

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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