Chemical Properties of s-Triazine, 2-chloro-4-(isopropylamino)-6-(methylamino)- (CAS 3004-71-5)

InChI

InChI=1S/C7H12ClN5/c1-4(2)10-7-12-5(8)11-6(9-3)13-7/h4H,1-3H3,(H2,9,10,11,12,13)

InChI Key

KLJYRZOFJHYOCO-UHFFFAOYSA-N

Formula

C7H12ClN5

SMILES

CNc1nc(Cl)nc(NC(C)C)n1

Molecular Weight¹

201.66

CAS

3004-71-5

Other Names

• 2-Chloro-4-isopropylamino-6-methylamino-s-triazine
• G-30,026
• GEIGY 30026
• 2-Methylamino-4-isopropylamino-6-chloro-s-triazine
• Norazine

• 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	0.5515		Relay (1.0) Calculated Property
ΔfG°	354.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-5.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	1.387		Crippen Calculated Property
McVol	147.870	ml/mol	McGowan Calculated Property
Pc	3674.50	kPa	Relay (1.0-beta) Calculated Property
I	[2761.00; 2761.00]
I	2761.00		NIST
I	2761.00		NIST
Tboil	528.78	K	Relay (1.0) Calculated Property
Tc	812.74	K	Relay (1.0) Calculated Property
Tfus	415.78	K	Relay (1.0) Calculated Property
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to s-Triazine, 2-chloro-4-(isopropylamino)-6-(methylamino)-.

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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