- 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
-
- 7-Amino-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Chloraminazepam
- Aminoclonazepam
- Ro 5-461
- 2H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-chlorophenyl)-1,3-dihydro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 472.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 201.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 203.280 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [2900.00; 2940.20] |
|
|
| Inp | 2905.00 | NIST | |
| Inp | 2905.00 | NIST | |
| Inp | 2940.20 | NIST | |
| Inp | 2900.00 | NIST | |
| Inp | 2900.00 | NIST | |
| Inp | 2940.20 | NIST | |
| Tboil | 915.02 | K | Joback Calculated Property |
| Tc | 1208.78 | K | Joback Calculated Property |
| Tfus | 735.60 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.66; 638.66] | J/mol×K | [915.02; 1208.78] |
|
| Cp,gas | 599.66 | J/mol×K | 915.02 | Joback Calculated Property |
| Cp,gas | 611.30 | J/mol×K | 963.98 | Joback Calculated Property |
| Cp,gas | 620.88 | J/mol×K | 1012.94 | Joback Calculated Property |
| Cp,gas | 628.41 | J/mol×K | 1061.90 | Joback Calculated Property |
| Cp,gas | 633.88 | J/mol×K | 1110.86 | Joback Calculated Property |
| Cp,gas | 637.30 | J/mol×K | 1159.82 | Joback Calculated Property |
| Cp,gas | 638.66 | J/mol×K | 1208.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Aminoclonazepam.
Sources
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