Chemical Properties of Cytosine, 5-bromo-N,O-bis(trimethylsilyl)- (CAS 50271-92-6)

InChI

InChI=1S/C10H20BrN3OSi2/c1-16(2,3)14-9-8(11)7-12-10(13-9)15-17(4,5)6/h7H,1-6H3,(H,12,13,14)

InChI Key

FACYSDZVGGOMDR-UHFFFAOYSA-N

Formula

C10H20BrN3OSi2

SMILES

C[Si](C)(C)Nc1nc(O[Si](C)(C)C)ncc1Br

Molecular Weight¹

334.36

CAS

50271-92-6

Other Names

• 5-Bromocytosine, di-TMS
• Cytosine, 5-bromo, N,O-bis-TMS
• Pyrimidine, 4-amino-2-hydroxy-5-bromo, bis-TMS
• Cytosine, 5-bromo, TMS
• 5-Bromocytosine, TMS
• Pyrimidine, 4-amino-2-hydroxy-5-bromo, 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	0.5790		Relay (1.0) Calculated Property
ΔfG°	179.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-342.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	3.700		Crippen Calculated Property
Pc	1654.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[1602.00; 1615.60]
Inp	1615.60		NIST
Inp	1604.00		NIST
Inp	1602.00		NIST
Inp	1614.00		NIST
Inp	1615.60		NIST
Tboil	541.94	K	Relay (1.0) Calculated Property
Tc	801.83	K	Relay (1.0) Calculated Property
Tfus	369.15	K	Relay (1.0) Calculated Property
Vc	0.860	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cytosine, 5-bromo-N,O-bis(trimethylsilyl)-.

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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