Chemical Properties of Nimorazole (CAS 6506-37-2)

InChI

InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2

InChI Key

MDJFHRLTPRPZLY-UHFFFAOYSA-N

Formula

C9H14N4O3

SMILES

O=[N+]([O-])c1cncn1CCN1CCOCC1

Molecular Weight¹

226.23

CAS

6506-37-2

Other Names

• Morpholine, 4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]-
• Acterol
• Acterol forte
• Esclama
• K-1900
• Morpholine, 4-(2-(5-nitroimidazol-1-yl)ethyl)-
• N-2-Morpholinoethyl-5-nitroimidazole
• Naxofem
• Naxogin
• Nimorazol
• Nitrimidazine
• Nulogyl
• 1-(«beta»-Morpholinoethyl)-5-nitroimidazole
• 1-(2-N-Morpholinylethyl)-5-nitroimidazole
• 4-(2-(5-Nitroimidazol-1-yl)ethyl)morpholine
• Nimorazolo
• Sirledi
• NSC 107524

• 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	0.6756		Relay (... Calculated Property
ΔfG°	323.00	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	4.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	88.40	kJ/mol	Relay (... Calculated Property
IE	9.19	eV	Relay (... Calculated Property
log10WS	-1.10		Relay (... Calculated Property
logPoct/wat	0.124		Crippen Calculated Property
McVol	160.580	ml/mol	McGowan Calculated Property
Pc	2781.16	kPa	Relay (... Calculated Property ⚠️
Inp	[1803.00; 1803.00]
Inp	1803.00		NIST
Inp	1803.00		NIST
Tboil	620.75	K	Relay (... Calculated Property
Tc	875.34	K	Relay (... Calculated Property
Tfus	355.53	K	Relay (... Calculated Property
Vc	0.586	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Nimorazole.

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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