Chemical Properties of 1-Methyl-l-histidine, trimethylsilyl ester

InChI

InChI=1S/C10H19N3O2Si/c1-13-6-8(12-7-13)5-9(11)10(14)15-16(2,3)4/h6-7,9H,5,11H2,1-4H3

InChI Key

CHLBMRHRYDUPSM-UHFFFAOYSA-N

Formula

C10H19N3O2Si

SMILES

Cn1cnc(CC(N)C(=O)O[Si](C)(C)C)c1

Molecular Weight¹

241.36

Other Names

• 1-Methyl-l-histidine, 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	0.6419		Relay (1.0) Calculated Property
ΔfG°	14.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-418.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-0.91		Relay (1.0) Calculated Property
logPoct/wat	0.668		Crippen Calculated Property
Pc	1911.37	kPa	Relay (1.0-beta) Calculated Property
Inp	[1760.20; 1760.20]
Inp	1760.20		NIST
Inp	1760.20		NIST
Tboil	572.09	K	Relay (1.0) Calculated Property
Tc	769.85	K	Relay (1.0) Calculated Property
Tfus	372.23	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-l-histidine, trimethylsilyl 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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