Chemical Properties of 2,6-Pyridinediamine, 3-(phenylazo)- (CAS 94-78-0)

InChI

InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)

InChI Key

QPFYXYFORQJZEC-UHFFFAOYSA-N

Formula

C11H11N5

SMILES

Nc1ccc(N=Nc2ccccc2)c(N)n1

Molecular Weight¹

213.24

CAS

94-78-0

Other Names

• 2,6-Diamino-3-(phenylazo)pyridine
• 3-(Phenylazo)-2,6-pyridinediamine
• 3-[(E)-Phenyldiazenyl]-2,6-pyridinediamine
• AP
• DPP
• Diridone
• Gastracid
• Gastrotest
• Mallophene
• NC 150
• NSC 145895
• Phenazodine
• Phenazopryidine
• Phenazopyridine
• Phenylazo tablet
• Pirid
• Plegomazin
• Proma
• Promactil
• Promazil
• Prozil
• Pyrazofen
• Pyridacil
• Pyridine, 2,6-diamino-3-(phenylazo)-
• Pyridium
• Pyripyridium
• Sanopron
• Sedural
• Uridinal
• Urodine
• W 1655
• oxytetracycline

• 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	0.7599		Relay (1.0) Calculated Property
ΔfG°	475.13	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	408.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Aq. Solubility Prediction
logPoct/wat	2.661		Crippen Calculated Property
McVol	163.930	ml/mol	McGowan Calculated Property
Pc	4343.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[2280.00; 2346.00]
Inp	2345.00		NIST
Inp	2280.00		NIST
Inp	2290.00		NIST
Inp	2345.00		NIST
Inp	2346.00		NIST
Inp	2345.00		NIST
Inp	2280.00		NIST
Tboil	638.92	K	Relay (1.0) Calculated Property
Tc	970.18	K	Relay (1.0) Calculated Property
Tfus	440.56	K	Relay (1.0) Calculated Property
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Pyridinediamine, 3-(phenylazo)-.

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

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