Chemical Properties of L-Glutamine, N,N2-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester (CAS 96381-42-9)

InChI

InChI=1S/C23H52N2O3Si3/c1-21(2,3)29(10,11)24-18(20(27)28-31(14,15)23(7,8)9)16-17-19(26)25-30(12,13)22(4,5)6/h18,24H,16-17H2,1-15H3,(H,25,26)/t18-/m1/s1

InChI Key

SCHQVORKBCRFQF-GOSISDBHSA-N

Formula

C23H52N2O3Si3

SMILES

CC(C)(C)[Si](C)(C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

488.93

CAS

96381-42-9

Other Names

• tert-Butyl(dimethyl)silyl 2,5-bis([tert-butyl(dimethyl)silyl]amino)-5-oxopentanoate, (S)-
• Glutamine triTBDMS
• L-glutamine, 3tbdms 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	0.8422		Relay (1.0) Calculated Property
ΔfG°	-77.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1161.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	6.400		Crippen Calculated Property
Pc	977.83	kPa	Relay (1.0-beta) Calculated Property
Inp	[2406.20; 2431.00]
Inp	2431.00		NIST
Inp	2406.20		NIST
Tboil	591.35	K	Relay (1.0) Calculated Property
Tc	879.28	K	Relay (1.0) Calculated Property
Tfus	385.43	K	Relay (1.0) Calculated Property
Vc	1.640	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Glutamine, N,N2-bis(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester.

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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