Chemical Properties of Pyrimidine, 6-amino-4-hydroxy-5-(3-carboxypropionyl)amino, TMS

InChI

InChI=1S/C17H34N4O4Si3/c1-26(2,3)21-16-15(17(19-12-18-16)25-28(7,8)9)20-13(22)10-11-14(23)24-27(4,5)6/h12H,10-11H2,1-9H3,(H,20,22)(H,18,19,21)

InChI Key

YTDYLZKOUHTLGK-UHFFFAOYSA-N

Formula

C17H34N4O4Si3

SMILES

C[Si](C)(C)Nc1ncnc(O[Si](C)(C)C)c1NC(=O)CCC(=O)O[Si](C)(C)C

Molecular Weight¹

442.73

• 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	0.9502		Relay (1.0) Calculated Property
ΔfG°	-81.78	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1024.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	4.034		Crippen Calculated Property
Pc	714.70	kPa	Relay (1.0-beta) Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	613.04	K	Relay (1.0) Calculated Property
Tc	911.00	K	Relay (1.0) Calculated Property
Tfus	399.45	K	Relay (1.0) Calculated Property
Vc	1.345	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrimidine, 6-amino-4-hydroxy-5-(3-carboxypropionyl)amino, TMS.

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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