Chemical Properties of Terbuthylazine (CAS 5915-41-3)

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

InChI Key

FZXISNSWEXTPMF-UHFFFAOYSA-N

Formula

C9H16ClN5

SMILES

CCNc1nc(Cl)nc(NC(C)(C)C)n1

Molecular Weight¹

229.71

CAS

5915-41-3

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1,1-dimethylethyl)-N'-ethyl-
• s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-
• G 13529
• Gardoprim
• GS 13529
• Terbutylethylazine
• 2-Chloro-4-(Ethylamino)-6-(tert-butylamino)-s-triazine
• 2-t-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine
• Primatol M
• Tyllanex
• N-tert-Butyl-6-chloro-N'-ethyl-[1,3,5]triazin-2,4-diamin
• N-tert-Butyl-6-chloro-N'-ethyl-[1,3,5]triazin-2,4-diamine
• Terbutylazine
• s-Triazine, 2-chloro-4-ethylamino-6-(1,1-dimethylethyl)amino
• Terbuthylazin
• 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-
• 2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine
• 2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine
• ChlorCaragard
• Gardeprim A 1862
• Terbutazine
• 6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.5810		Relay (1.0) Calculated Property
ΔfG°	366.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-67.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	2.167		Crippen Calculated Property
McVol	176.050	ml/mol	McGowan Calculated Property
Pc	2570.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[298.87; 1785.00]
Inp	1728.00		NIST
Inp	1755.00		NIST
Inp	1754.00		NIST
Inp	1773.00		NIST
Inp	1779.00		NIST
Inp	1785.00		NIST
Inp	Outlier 298.87		NIST
Inp	1785.00		NIST
I	[2664.00; 2686.00]
I	2664.00		NIST
I	2686.00		NIST
I	2664.00		NIST
I	2664.00		NIST
I	2664.00		NIST
Tboil	539.37	K	Relay (1.0) Calculated Property
Tc	826.57	K	Relay (1.0) Calculated Property
Tfus	449.23 ± 0.20	K	NIST
Vc	0.636	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Terbuthylazine.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.