Chemical Properties of Ipazine (CAS 1912-25-0)

InChI

InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)

InChI Key

OWYWGLHRNBIFJP-UHFFFAOYSA-N

Formula

C10H18ClN5

SMILES

CCN(CC)c1nc(Cl)nc(NC(C)C)n1

Molecular Weight¹

243.74

CAS

1912-25-0

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-diethyl-N'-(1-methylethyl)-
• 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine
• 6-chloro-N,N-diethyl-N'-propan-2-yl-1,3,5-triazine-2,4-diamine
• G 30031
• Geigy
• Gesabal
• Heptazine
• Isodiazine
• NSC 163047
• s-Triazine, 2-chloro-4-(diethylamino)-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.
• 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	0.6081		Relay (... Calculated Property
ΔfG°	392.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-53.05	kJ/mol	Relay (... Calculated Property
ΔvapH°	93.56	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	[-3.79; -3.79]
log10WS	-3.79		Aq. Sol...
log10WS	-3.79		Estimat...
logPoct/wat	2.192		Crippen Calculated Property
McVol	190.140	ml/mol	McGowan Calculated Property
Pc	2330.80	kPa	Relay (... Calculated Property ⚠️
Inp	[1763.00; 1763.00]
Inp	1763.00		NIST
Inp	1763.00		NIST
I	[2461.00; 2475.00]
I	2461.00		NIST
I	2475.00		NIST
I	2461.00		NIST
Tboil	544.74	K	Relay (... Calculated Property
Tc	809.16	K	Relay (... Calculated Property
Tfus	368.93	K	Relay (... Calculated Property
Vc	0.694	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ipazine.

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

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.