Chemical Properties of Trietazine (CAS 1912-26-1)

InChI

InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)

InChI Key

HFBWPRKWDIRYNX-UHFFFAOYSA-N

Formula

C9H16ClN5

SMILES

CCNc1nc(Cl)nc(N(CC)CC)n1

Molecular Weight¹

229.71

CAS

1912-26-1

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N,N'-triethyl-
• 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2,N4-triethyl-
• 2-Chloro-4-(diethylamino)-6-(ethylamino)-s-triazine
• 2-Chloro-4-ethylamino-6-diethylamino-s-triazine
• 2-Ethylamino-4-Diethylamino-6-chlortriazine
• 2-Ethylamino-4-diethylamino-6-chloro-s-triazine
• 6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine
• Aventox
• Bronox
• G 27901
• Gesafloc
• NC 1667
• NSC 13908
• Remtal
• Triethazine
• s-Triazine, 2-chloro-4-(diethylamino)-6-(ethylamino)-

• 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.
• 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	0.6037		Relay (1.0) Calculated Property
ΔfG°	395.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-24.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	[-4.06; -4.06]
log10WS	-4.06		Aq. Solubility Prediction
log10WS	-4.06		Estimated Solubility
logPoct/wat	1.803		Crippen Calculated Property
McVol	176.050	ml/mol	McGowan Calculated Property
Pc	2661.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1733.00; 1760.00]
Inp	1733.00		NIST
Inp	1749.00		NIST
Inp	1760.00		NIST
Inp	1760.00		NIST
Inp	1760.00		NIST
I	[2557.00; 2559.00]
I	2557.00		NIST
I	2559.00		NIST
I	2557.00		NIST
I	2557.00		NIST
I	2557.00		NIST
Tboil	550.47	K	Relay (1.0) Calculated Property
Tc	810.59	K	Relay (1.0) Calculated Property
Tfus	373.46	K	Relay (1.0) Calculated Property
Vc	0.641	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Trietazine.

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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