- InChI
- InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2
- InChI Key
- MVAUDJDXZPBWOW-UHFFFAOYSA-N
- Formula
- C17H15ClFN3O
- SMILES
-
NCCN1C(=O)CN=C(c2ccccc2F)c2cc(
Cl)ccc21 - Molecular Weight1
- 331.77
- CAS
- 17617-59-3
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-
- 1-(2-Aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- RO 7-1986
- 2H-1,4-Benzodiazepin-2-one, 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-
- 2H-1,4-Benzodiazepin-2-one, 1-(2-aminoethyl)-7-chloro-5-(o-fluorophenyl)-1,3-dihydro-
- Desalkylflurazepam
- Dideethylflurazepam
- Dealkylflurazepam
- N,N-Bisdesethylflurazepam
- 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 | 0.7588 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -58.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 233.230 | ml/mol | McGowan Calculated Property |
| Pc | 2114.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2660.00; 2660.00] |
|
|
| Inp | 2660.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 714.44 | K | Relay (1.0) Calculated Property |
| Tc | 1017.59 | K | Relay (1.0) Calculated Property |
| Tfus | 437.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Didesethylflurazepam.
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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