- InChI
- InChI=1S/C19H21ClN2O/c1-15(23)21-11-13-22(14-12-21)19(16-5-3-2-4-6-16)17-7-9-18(20)10-8-17/h2-10,19H,11-14H2,1H3
- InChI Key
- SQGNETKFPNXNSE-UHFFFAOYSA-N
- Formula
- C19H21ClN2O
- SMILES
-
CC(=O)N1CCN(C(c2ccccc2)c2ccc(C
l)cc2)CC1 - Molecular Weight1
- 328.84
- 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 | 0.5986 | Relay (1.0) Calculated Property | |
| ΔfG° | 308.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 23.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.594 | Crippen Calculated Property | |
| McVol | 253.960 | ml/mol | McGowan Calculated Property |
| Pc | 1965.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2620.00; 2620.00] |
|
|
| Inp | 2620.00 | NIST | |
| Inp | 2620.00 | NIST | |
| Inp | 2620.00 | NIST | |
| Inp | 2620.00 | NIST | |
| Inp | 2620.00 | NIST | |
| Tboil | 678.05 | K | Relay (1.0) Calculated Property |
| Tc | 960.79 | K | Relay (1.0) Calculated Property |
| Tfus | 359.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Buclizine M (N-desalkyl), acetylated.
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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