Chemical Properties of 6-methyl adenine, TMS

InChI

InChI=1S/C12H23N5Si2/c1-9-15-11-10(17(9)19(5,6)7)12(14-8-13-11)16-18(2,3)4/h8H,1-7H3,(H,13,14,16)

InChI Key

NFXMWMHXGYLTKC-UHFFFAOYSA-N

Formula

C12H23N5Si2

SMILES

Cc1nc2ncnc(N[Si](C)(C)C)c2n1[Si](C)(C)C

Molecular Weight¹

293.52

• 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	0.6408		Relay (1.0) Calculated Property
ΔfG°	421.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-61.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.065		Crippen Calculated Property
Pc	1638.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[1758.00; 1759.00]
Inp	1758.00		NIST
Inp	1759.00		NIST
Tboil	579.22	K	Relay (1.0) Calculated Property
Tc	886.56	K	Relay (1.0) Calculated Property
Tfus	454.29	K	Relay (1.0) Calculated Property
Vc	0.919	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6-methyl adenine, 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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