Chemical Properties of 7-Aminoclonazepam (CAS 4959-17-5)

InChI

InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)

InChI Key

HEFRPWRJTGLSSV-UHFFFAOYSA-N

Formula

C15H12ClN3O

SMILES

Nc1ccc2c(c1)C(c1ccccc1Cl)=NCC(=O)N2

Molecular Weight¹

285.73

CAS

4959-17-5

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-chlorophenyl)-1,3-dihydro-
• 7-Amino-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
• Aminoclonazepam
• Chloraminazepam
• Ro 5-461

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	203.280	ml/mol	McGowan Calculated Property
Inp	[2900.00; 2940.20]
Inp	2905.00		NIST
Inp	2905.00		NIST
Inp	2940.20		NIST
Inp	2900.00		NIST
Inp	2940.20		NIST
Inp	2900.00		NIST
Tfus	508.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.71; 638.66]	J/mol×K	[915.22; 1209.05]
Cp,gas	599.71	J/mol×K	915.22	Joback Calculated Property
Cp,gas	611.35	J/mol×K	964.19	Joback Calculated Property
Cp,gas	620.92	J/mol×K	1013.16	Joback Calculated Property
Cp,gas	628.44	J/mol×K	1062.13	Joback Calculated Property
Cp,gas	633.90	J/mol×K	1111.10	Joback Calculated Property
Cp,gas	637.31	J/mol×K	1160.07	Joback Calculated Property
Cp,gas	638.66	J/mol×K	1209.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Aminoclonazepam.

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
• Joback 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.
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