Chemical Properties of Midazolam (CAS 59467-70-8)

InChI

InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3

InChI Key

DDLIGBOFAVUZHB-UHFFFAOYSA-N

Formula

C18H13ClFN3

SMILES

Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2

Molecular Weight¹

325.77

CAS

59467-70-8

Other Names

• Dormicum
• 8-Chloro-6-(O-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]-benzodiazepine
• 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-
• 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
• 59467-94-6 (maleate)
• 59467-96-8 (hydrochloride)

• 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	0.6487		Relay (1.0) Calculated Property
ΔfG°	293.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	192.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.80	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.324		Crippen Calculated Property
McVol	226.290	ml/mol	McGowan Calculated Property
Pc	2315.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[2559.00; 2620.00]
Inp	2580.00		NIST
Inp	2620.00		NIST
Inp	2559.00		NIST
Inp	2559.00		NIST
Inp	2580.00		NIST
Inp	2559.00		NIST
Inp	2620.00		NIST
Tboil	710.27	K	Relay (1.0) Calculated Property
Tc	1049.58	K	Relay (1.0) Calculated Property
Tfus	488.88	K	Relay (1.0) Calculated Property
Vc	0.831	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Midazolam.

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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