Chemical Properties of Iproniazid (CAS 54-92-2)

InChI

InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)

InChI Key

NYMGNSNKLVNMIA-UHFFFAOYSA-N

Formula

C9H13N3O

SMILES

CC(C)NNC(=O)c1ccncc1

Molecular Weight¹

179.22

CAS

54-92-2

Other Names

• 4-Pyridinecarboxylic acid, 2-(1-methylethyl)hydrazide
• Isonicotinic acid, 2-isopropylhydrazide
• Euphozid
• Iprazid
• Iprazide
• Iproniazide
• Isonicotinic acid N'-isopropylhydrazide
• IPN
• Marsalid
• Marsilid
• N'-Isopropylisonicotinoylhydrazide
• Ipronid
• Ipronin
• 1-Isonicotinyl-2-isopropylhydrazine
• 1-Isonicotinoyl-2-isopropylhydrazine
• N-Isopropyl isonicotinhydrazide
• P 887
• Rivivol
• RO 2-4572
• Yatrozide

• 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	0.5625		Relay (1.0) Calculated Property
ΔfG°	156.81	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-58.03	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	78.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-0.94		Relay (1.0) Calculated Property
logPoct/wat	0.724		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2998.97	kPa	Relay (1.0-beta) Calculated Property
Inp	[1590.00; 1630.00]
Inp	1630.00		NIST
Inp	1593.00		NIST
Inp	1590.00		NIST
Inp	1593.00		NIST
Inp	1593.00		NIST
Inp	1630.00		NIST
Tboil	554.64	K	Relay (1.0) Calculated Property
Tc	794.70	K	Relay (1.0) Calculated Property
Tfus	403.87	K	Relay (1.0) Calculated Property
Vc	0.521	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Iproniazid.

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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