Chemical Properties of Ketazolam (CAS 27223-35-4)

InChI

InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

InChI Key

PWAJCNITSBZRBL-UHFFFAOYSA-N

Formula

C20H17ClN2O3

SMILES

CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1

Molecular Weight¹

368.81

CAS

27223-35-4

Other Names

• 4H-[1,3]Oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione, 11-chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-
• Ansieten
• U 28774
• U-28,774
• Unakalm
• 11-Chloro-8,12b-dihydro-2,8-dimethyl-12b-phenyl-4H-(1,3)-oxazino(3,2-d)-(1,4)benzodiazepine-4,7(6H)dione
• 4H-(1,3)-Oxazino(3,2-d)-(1,4)benzodiazepine-4,7(6H)-dione, 11-chloro-8,12b-dihydro-2,8-dimethyl-
• 4H-(1,3)Oxazino(3,2-d)(1,4)benzodiazepine-4,7(6H)-dione, 8,12b-dihydro-11-chloro-2,8-dimethyl-12b-phenyl-
• Anxon
• Anseren
• Contamex
• Loftran
• 11-Chloro-2,8-dimethyl-12b-phenyl-8,12b-dihydro-4H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7(6H)-dione
• NSC 338158

• 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	0.6589		Relay (1.0) Calculated Property
ΔfG°	75.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-201.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	118.80	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.280		Crippen Calculated Property
McVol	260.330	ml/mol	McGowan Calculated Property
Pc	1670.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[2425.00; 2477.00]
Inp	2425.00		NIST
Inp	2475.00		NIST
Inp	2477.00		NIST
Inp	2425.00		NIST
Tboil	688.79	K	Relay (1.0) Calculated Property
Tc	1064.69	K	Relay (1.0) Calculated Property
Tfus	425.16	K	Relay (1.0) Calculated Property
Vc	0.921	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Ketazolam.

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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