Chemical Properties of Camazepam (CAS 36104-80-0)

InChI

InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3

InChI Key

PXBVEXGRHZFEOF-UHFFFAOYSA-N

Formula

C19H18ClN3O3

SMILES

CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O

Molecular Weight¹

371.82

CAS

36104-80-0

Other Names

• Carbamic acid, dimethyl-, 7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl ester
• Albego
• B 5333
• 7-Chloro-1,3-dihydro-3-(N,N-dimethylcarbamoyl)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
• 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-1,4-benzodiazepin-2-one dimethylcarbamate
• 3-N,N-Dimethylcarbamoyloxy-7-chloro-5-phenyl-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
• SB 5833
• 7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one dimethylcarbamate (ester)
• Camazepam, (.+/-.)-

• 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	0.7459		Relay (1.0) Calculated Property
ΔfG°	107.43	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-276.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	125.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	3.178		Crippen Calculated Property
McVol	267.080	ml/mol	McGowan Calculated Property
Pc	1659.06	kPa	Relay (1.0-beta) Calculated Property
Inp	[2930.00; 2965.00]
Inp	2930.00		NIST
Inp	2954.00		NIST
Inp	2930.00		NIST
Inp	2943.00		NIST
Inp	2965.00		NIST
Inp	2954.00		NIST
Inp	2954.00		NIST
Inp	2954.00		NIST
Inp	2946.00		NIST
Inp	2935.00		NIST
Tboil	672.56	K	Relay (1.0) Calculated Property
Tc	1036.18	K	Relay (1.0) Calculated Property
Tfus	414.38	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Camazepam.

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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