Chemical Properties of Temazepam (CAS 846-50-4)

InChI

InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3

InChI Key

SEQDDYPDSLOBDC-UHFFFAOYSA-N

Formula

C16H13ClN2O2

SMILES

CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21

Molecular Weight¹

300.74

CAS

846-50-4

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-
• Crisonar
• ER 115
• K-3917
• Levanxene
• Levanxol
• Methyloxazepam
• N-Methyloxazepam
• Oxydiazepam
• Ro 5-5345
• Wy-3917
• 3-Hydroxydiazepam
• Euhypnos
• Hydroxydiazepam
• Mabertin
• Restoril
• Signopam
• 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
• 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-hydroxy-1-methyl-5-phenyl-
• Cerepax
• 1,3-Dihydro-7-chloro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
• Normison
• Planum
• Remestan
• Euipnos
• Gelthix
• Levanzene
• Perdorm
• Ro-5-5354
• Diazepam, 3-hydroxy
• NSC 246303
• Tenox
• 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one (temazepam)

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.7387		Relay (1.0) Calculated Property
ΔfG°	83.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-129.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	118.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.472		Crippen Calculated Property
McVol	213.260	ml/mol	McGowan Calculated Property
Pc	2621.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[2554.00; 2691.50]
Inp	2589.00		NIST
Inp	2613.00		NIST
Inp	2589.00		NIST
Inp	2588.00		NIST
Inp	Outlier 2691.50		NIST
Inp	2600.00		NIST
Inp	2554.00		NIST
Inp	2554.00		NIST
Inp	2575.00		NIST
Inp	2613.00		NIST
Inp	2590.00		NIST
Inp	2595.00		NIST
Inp	2595.00		NIST
Tboil	664.37	K	Relay (1.0) Calculated Property
Tc	1032.97	K	Relay (1.0) Calculated Property
Tfus	441.29	K	Relay (1.0) Calculated Property
Vc	0.756	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[25.58; 27.40]	kJ/mol	[432.50; 432.60]
ΔfusH	25.58	kJ/mol	432.50	NIST
ΔfusH	27.40	kJ/mol	432.60	NIST

Similar Compounds

Find more compounds similar to Temazepam.

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.