Chemical Properties of trimethylsilyl 1-trimethylsilyl-5-trimethylsiloxy-3-(2-trimethylsilylamino)indolepropionate (CAS 69937-47-9)

InChI

InChI=1S/C23H44N2O3Si4/c1-29(2,3)24-21(23(26)28-32(10,11)12)15-18-17-25(30(4,5)6)22-14-13-19(16-20(18)22)27-31(7,8)9/h13-14,16-17,21,24H,15H2,1-12H3

InChI Key

OPTSZAFVDMCAQY-UHFFFAOYSA-N

Formula

C23H44N2O3Si4

SMILES

C[Si](C)(C)NC(Cc1cn([Si](C)(C)C)c2ccc(O[Si](C)(C)C)cc12)C(=O)O[Si](C)(C)C

Molecular Weight¹

508.95

CAS

69937-47-9

Other Names

• TMS 1-TMS-5-TMSoxy-3-(2-TMSamino)indolepropionate
• 5-OH-Try, TMS

• 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	0.9141		Relay (... Calculated Property
ΔfG°	6.75	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-969.44	kJ/mol	Relay (... Calculated Property
ΔvapH°	101.62	kJ/mol	Relay (... Calculated Property
IE	7.87	eV	Relay (... Calculated Property
log10WS	-4.62		Relay (... Calculated Property
logPoct/wat	6.252		Crippen Calculated Property
Pc	-190.00	kPa	Relay (... Calculated Property ⚠️
Inp	[2460.00; 2460.00]
Inp	2460.00		NIST
Inp	2460.00		NIST
Tboil	661.47	K	Relay (... Calculated Property
Tc	923.44	K	Relay (... Calculated Property
Tfus	365.22	K	Relay (... Calculated Property
Vc	1.632	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to trimethylsilyl 1-trimethylsilyl-5-trimethylsiloxy-3-(2-trimethylsilylamino)indolepropionate.

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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