Chemical Properties of Silanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]- (CAS 56114-63-7)

InChI

InChI=1S/C19H39NO3Si3/c1-20(24(3,4)5)15-19(23-26(9,10)11)16-12-13-17(18(14-16)21-2)22-25(6,7)8/h12-14,19H,15H2,1-11H3

InChI Key

ZUOAVMHEWGXAQS-UHFFFAOYSA-N

Formula

C19H39NO3Si3

SMILES

COc1cc(C(CN(C)[Si](C)(C)C)O[Si](C)(C)C)ccc1O[Si](C)(C)C

Molecular Weight¹

413.77

CAS

56114-63-7

Other Names

• Benzeneethanamine, 3-methoxy-N-methyl-N-(trimethylsilyl)-«beta»,4-bis[(trimethylsilyl)oxy]-
• Benzenemethanol,4-hydroxy-3-methoxy-«alpha»-[(methylamino)methyl]-, tris(trimethylsilyl) deriv.
• Metanephrine tri-TMS
• Metanephrine, tris-TMS
• Metanephrine, TMS
• DL-Metanephrine, N,O,O'-(trimethylsilyl)-
• Metanephrine, 3tms 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	0.7374		Relay (... Calculated Property
ΔfG°	-41.39	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-813.65	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.81	kJ/mol	Relay (... Calculated Property
IE	7.71	eV	Relay (... Calculated Property
log10WS	-2.38		Relay (... Calculated Property
logPoct/wat	5.568		Crippen Calculated Property
Pc	547.84	kPa	Relay (... Calculated Property ⚠️
Inp	[1907.10; 1950.00]
Inp	1950.00		NIST
Inp	1938.00		NIST
Inp	1907.10		NIST
Inp	1907.10		NIST
Tboil	591.74	K	Relay (... Calculated Property
Tc	791.73	K	Relay (... Calculated Property
Tfus	329.26	K	Relay (... Calculated Property
Vc	1.354	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Silanamine, N-[2-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-N,1,1,1-tetramethyl-2-[(trimethylsilyl)oxy]ethyl]-.

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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