Chemical Properties of Flurazepam (CAS 17617-23-1)

InChI

InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3

InChI Key

SAADBVWGJQAEFS-UHFFFAOYSA-N

Formula

C21H23ClFN3O

SMILES

CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21

Molecular Weight¹

387.88

CAS

17617-23-1

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-
• 2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[2-(diethylamino)ethyl]-5-(o-fluorophenyl)-1,3-dihydro-
• Ro 56901/3
• 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(diethylamino)ethyl)-5-(o-fluorophenyl)-
• 7-Chloro-1-(2-(diethylamino)ethyl)-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2(3H)-one
• 7-Chloro-1-[2-(diethylamino)ethyl]-5-(o-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
• Felmane
• Noctosom
• Stauroderm

• 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	0.7957		Relay (1.0) Calculated Property
ΔfG°	183.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-129.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	4.005		Crippen Calculated Property
McVol	289.590	ml/mol	McGowan Calculated Property
Pc	1405.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[2741.00; 2865.40]
Inp	2771.00		NIST
Inp	2795.00		NIST
Inp	2771.00		NIST
Inp	2799.00		NIST
Inp	2814.00		NIST
Inp	2759.00		NIST
Inp	2788.00		NIST
Inp	2800.00		NIST
Inp	2800.00		NIST
Inp	2800.00		NIST
Inp	Outlier 2865.40		NIST
Inp	2785.00		NIST
Inp	2758.00		NIST
Inp	2763.00		NIST
Inp	2763.00		NIST
Inp	2741.00		NIST
Inp	2780.00		NIST
Inp	2769.00		NIST
Inp	2809.00		NIST
Inp	2785.00		NIST
Inp	2795.00		NIST
Inp	2744.00		NIST
Inp	2795.00		NIST
Inp	2790.00		NIST
Inp	2805.00		NIST
Inp	2815.00		NIST
Inp	2808.00		NIST
Inp	2808.00		NIST
Inp	2758.00		NIST
Inp	2764.00		NIST
Inp	2768.00		NIST
Inp	2773.00		NIST
Inp	2784.00		NIST
Inp	2741.00		NIST
Inp	2788.00		NIST
Inp	2794.00		NIST
Inp	2820.00		NIST
Inp	2785.00		NIST
Inp	2809.00		NIST
Tboil	722.10	K	Relay (1.0) Calculated Property
Tc	998.71	K	Relay (1.0) Calculated Property
Tfus	371.87	K	Relay (1.0) Calculated Property
Vc	1.017	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Flurazepam.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.