- InChI
- InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
- InChI Key
- XFKXNYYYOGBBGS-UHFFFAOYSA-N
- Formula
- C19H22N2O
- SMILES
-
CC(=O)N1CCN(C(c2ccccc2)c2ccccc
2)CC1 - Molecular Weight1
- 294.39
- Other Names
-
- Norcyclizine, acetylated
- 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 | 0.5681 | Relay (1.0) Calculated Property | |
| ΔfG° | 338.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 71.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.940 | Crippen Calculated Property | |
| McVol | 241.720 | ml/mol | McGowan Calculated Property |
| Pc | 2070.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2525.00; 2525.00] |
|
|
| Inp | 2525.00 | NIST | |
| Inp | 2525.00 | NIST | |
| Inp | 2525.00 | NIST | |
| Tboil | 661.63 | K | Relay (1.0) Calculated Property |
| Tc | 943.62 | K | Relay (1.0) Calculated Property |
| Tfus | 367.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Cinnarizine 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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