- InChI
- InChI=1S/C22H26N2O3/c1-17(25)23-14-12-21(13-15-23)24(16-19-6-4-3-5-7-19)20-8-10-22(11-9-20)27-18(2)26/h3-11,21H,12-16H2,1-2H3
- InChI Key
- LIHARFGRBZETLL-UHFFFAOYSA-N
- Formula
- C22H26N2O3
- SMILES
-
CC(=O)Oc1ccc(N(Cc2ccccc2)C2CCN
(C(C)=O)CC2)cc1 - Molecular Weight1
- 366.45
- 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 | 0.8076 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -348.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.629 | Crippen Calculated Property | |
| McVol | 291.430 | ml/mol | McGowan Calculated Property |
| Pc | 1339.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3020.00; 3020.00] |
|
|
| Inp | 3020.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Tboil | 715.65 | K | Relay (1.0) Calculated Property |
| Tc | 989.14 | K | Relay (1.0) Calculated Property |
| Tfus | 386.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.027 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bamipine, nor-hydroxy, 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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