- InChI
- InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
- InChI Key
- LTCDLGUFORGHGY-UHFFFAOYSA-N
- Formula
- C16H14FN3O
- SMILES
-
CN1C(=O)CN=C(c2ccccc2F)c2cc(N)
ccc21 - Molecular Weight1
- 283.30
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7088 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.38 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -57.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.222 | Crippen Calculated Property | |
| McVol | 206.900 | ml/mol | McGowan Calculated Property |
| Pc | 2517.97 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [2719.00; 2726.00] |
|
|
| Inp | 2726.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Inp | 2725.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Inp | 2723.00 | NIST | |
| Inp | 2726.00 | NIST | |
| Tboil | 693.60 | K | Relay (1.0) Calculated Property |
| Tc | 1022.84 | K | Relay (1.0) Calculated Property |
| Tfus | 439.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-Aminoflunitrazepam.
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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