Chemical Properties of 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N,N',N'-tetraethyl- (CAS 580-48-3)

InChI

InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3

InChI Key

QHXDTLYEHWXDSO-UHFFFAOYSA-N

Formula

C11H20ClN5

SMILES

CCN(CC)c1nc(Cl)nc(N(CC)CC)n1

Molecular Weight¹

257.76

CAS

580-48-3

Other Names

• 2,4-Bis(diethylamino)-6-chloro-1,3,5-triazine
• 2,4-Bis(diethylamino)-6-chloro-s-triazine
• 2-Chloro-4,6-bis(diethylamino)-s-triazine
• 2-chloro-4,6-bis(diethylamino)-1,3,5-triazine
• 6-Chloro-N,N,N',N'-tetraethyl-1,3,5-triazine-2,4-diamine
• Chlorazin
• Chlorazine
• Chloroazine
• G 25,804
• G 444E
• Geigy 444E
• Geigy Herbicide 444E
• NSC 56355
• NSC 56840
• Phenazon
• s-Triazine, 2-chloro-4,6-bis(diethylamino)-

• 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 : 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	0.6487		Relay (1.0) Calculated Property
ΔfG°	427.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-35.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	[-4.41; -4.41]
log10WS	-4.41		Aq. Solubility Prediction
log10WS	-4.41		Estimated Solubility
logPoct/wat	2.217		Crippen Calculated Property
McVol	204.230	ml/mol	McGowan Calculated Property
Pc	2206.31	kPa	Relay (1.0-beta) Calculated Property
I	2309.00		NIST
Tboil	558.06	K	Relay (1.0) Calculated Property
Tc	800.85	K	Relay (1.0) Calculated Property
Tfus	355.11	K	Relay (1.0) Calculated Property
Vc	0.763	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N,N',N'-tetraethyl-.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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