Chemical Properties of N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine

InChI

InChI=1S/C9H14ClN5O/c1-5(16)11-7-12-6(10)13-8(14-7)15-9(2,3)4/h1-4H3,(H2,11,12,13,14,15,16)

InChI Key

DYRSLXURNMQEOR-UHFFFAOYSA-N

Formula

C9H14ClN5O

SMILES

CC(=O)Nc1nc(Cl)nc(NC(C)(C)C)n1

Molecular Weight¹

243.69

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1,1-dimethylethyl)-N'-acetyl-
• 6-Chloro-N-(2-methyl-2-propanyl)-N'-acetyl-1,3,5-triazine-2,4-diamine
• N-(4-Acetamino-6-chloro-1,3,5-triazin-2-yl)-N-(tert-butyl)amine
• 2-Acetamino-4-tert-butylamino-6-chloro-1,3,5-triazine

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	0.6303		Relay (1.0) Calculated Property
ΔfG°	250.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-225.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	1.694		Crippen Calculated Property
McVol	177.620	ml/mol	McGowan Calculated Property
Pc	2938.97	kPa	Relay (1.0-beta) Calculated Property
Inp	[1898.00; 1898.00]
Inp	1898.00		NIST
Inp	1898.00		NIST
Tboil	545.32	K	Relay (1.0) Calculated Property
Tc	858.72	K	Relay (1.0) Calculated Property
Tfus	484.28	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine.

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
• McGowan Method
• NIST Webbook

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