Chemical Properties of Desethylatrazine (CAS 6190-65-4)

InChI

InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)

InChI Key

DFWFIQKMSFGDCQ-UHFFFAOYSA-N

Formula

C6H10ClN5

SMILES

CC(C)Nc1nc(N)nc(Cl)n1

Molecular Weight¹

187.63

CAS

6190-65-4

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-
• 2-Chloro-4-amino-6-(isopropylamino)-s-triazine
• 6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• Atrazine M (des-ethyl)
• Atrazine desethyl
• Deethylatrazine
• s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-

• 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	0.5752		Relay (1.0) Calculated Property
ΔfG°	354.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-14.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Aq. Solubility Prediction
logPoct/wat	0.927		Crippen Calculated Property
McVol	133.780	ml/mol	McGowan Calculated Property
Pc	3536.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[281.83; 1665.00]
Inp	1665.00		NIST
Inp	281.83		NIST
Inp	1665.00		NIST
Tboil	526.75	K	Relay (1.0) Calculated Property
Tc	819.71	K	Relay (1.0) Calculated Property
Tfus	437.66	K	Relay (1.0) Calculated Property
Vc	0.484	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Desethylatrazine.

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
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.