Chemical Properties of 2-[[tert-Butyl(dimethyl)silyl](methyl)amino]-1-(4-pyrrol[tert-butyl(dimethyl)silyl]oxymorpho-3-methoxyphenyl)ethanol

InChI

InChI=1S/C22H43NO3Si2/c1-21(2,3)27(9,10)23(7)16-18(24)17-13-14-19(20(15-17)25-8)26-28(11,12)22(4,5)6/h13-15,18,24H,16H2,1-12H3

InChI Key

IDSRSXAUPMIXDC-UHFFFAOYSA-N

Formula

C22H43NO3Si2

SMILES

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

Molecular Weight¹

425.75

Other Names

• 2-[[tert-Butyl(dimethyl)silyl](methyl)amino]-1-(4-{[tert-butyl(dimethyl)silyl]oxy}-3-methoxyphenyl)ethanol
• Metanephrine, n-2tbdms 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	0.8779		Relay (... Calculated Property
ΔfG°	-2.17	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-795.90	kJ/mol	Relay (... Calculated Property
ΔvapH°	90.94	kJ/mol	Relay (... Calculated Property
IE	7.34	eV	Relay (... Calculated Property
log10WS	-2.92		Relay (... Calculated Property
logPoct/wat	6.050		Crippen Calculated Property
Pc	1058.29	kPa	Relay (... Calculated Property ⚠️
Inp	[2534.20; 2534.20]
Inp	2534.20		NIST
Inp	2534.20		NIST
Tboil	618.35	K	Relay (... Calculated Property
Tc	880.47	K	Relay (... Calculated Property
Tfus	388.99	K	Relay (... Calculated Property
Vc	1.373	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-[[tert-Butyl(dimethyl)silyl](methyl)amino]-1-(4-pyrrol[tert-butyl(dimethyl)silyl]oxymorpho-3-methoxyphenyl)ethanol.

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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