- InChI
- InChI=1S/C15H12FN3O/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
- IWZVUERQZJRRPL-UHFFFAOYSA-N
- Formula
- C15H12FN3O
- SMILES
-
Nc1ccc2c(c1)C(c1ccccc1F)=NCC(=
O)N2 - Molecular Weight1
- 269.27
- Other Names
-
- 7-Amino-desmethylflunitrazepam
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7029 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 192.810 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [2825.00; 2825.00] |
|
|
| Inp | 2825.00 | NIST | |
| Inp | 2825.00 | NIST | |
| Tboil | 693.17 | K | Relay (1.0) Calculated Property |
| Tc | 1048.07 | K | Relay (1.0) Calculated Property |
| Tfus | 498.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.668 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.52; 636.28] | J/mol×K | [876.86; 1157.92] |
|
| Cp,gas | 587.52 | J/mol×K | 876.86 | Joback Calculated Property |
| Cp,gas | 600.42 | J/mol×K | 923.70 | Joback Calculated Property |
| Cp,gas | 611.42 | J/mol×K | 970.55 | Joback Calculated Property |
| Cp,gas | 620.50 | J/mol×K | 1017.39 | Joback Calculated Property |
| Cp,gas | 627.67 | J/mol×K | 1064.23 | Joback Calculated Property |
| Cp,gas | 632.93 | J/mol×K | 1111.08 | Joback Calculated Property |
| Cp,gas | 636.28 | J/mol×K | 1157.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Aminonorflunitrazepam.
Sources
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