Chemical Properties of 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl- (CAS 1007-28-9)

InChI

InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)

InChI Key

IVENSCMCQBJAKW-UHFFFAOYSA-N

Formula

C5H8ClN5

SMILES

CCNc1nc(N)nc(Cl)n1

Molecular Weight¹

173.60

CAS

1007-28-9

Other Names

• 2-amino-4-chloro-6-(ethylamino)-s-triazine
• 2-chloro-4-amino-6-(ethylamino)-s-triazine
• 4-amino-2-chloro-6-(ethylamino)-s-triazine
• 6-chloro-N-ethyl-1,3,5-triazine-2,4-diamine
• Atrazine M (des-isopropyl)
• Atrazine deisopropyl
• Atrazine, desisopropyl
• Deisopropylatrazine
• Desethylsimazine
• Desisopropylatrazine
• G 28279
• Simazine, desethyl
• deethylsimazine
• s-triazine, 2-amino-4-chloro-6-(ethylamino)-

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	99.64	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	0.539		Crippen Calculated Property
McVol	119.690	ml/mol	McGowan Calculated Property
Inp	[280.28; 1654.00]
Inp	1654.00		NIST
Inp	280.28		NIST
Inp	280.28		NIST
Tfus	441.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

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
• Octanol/Water Partition Coefficient of Selected Herbicides: Determination Using Shake-Flask Method and Reversed-Phase High-Performance Liquid Chromatography
• McGowan Method
• NIST Webbook

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