- InChI
- InChI=1S/C18H22ClN3O2/c1-14(23)24-17-8-9-18(20-12-17)22(11-10-21(2)3)13-15-4-6-16(19)7-5-15/h4-9,12H,10-11,13H2,1-3H3
- InChI Key
- SUOGCEHVUXSRGC-UHFFFAOYSA-N
- Formula
- C18H22ClN3O2
- SMILES
-
CC(=O)Oc1ccc(N(CCN(C)C)Cc2ccc(
Cl)cc2)nc1 - Molecular Weight1
- 347.84
- 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 | 0.8089 | Relay (... Calculated Property | |
| ΔfG° | 182.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -190.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.92 | kJ/mol | Relay (... Calculated Property |
| IE | 7.80 | eV | Relay (... Calculated Property |
| log10WS | -3.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.228 | Crippen Calculated Property | |
| McVol | 266.580 | ml/mol | McGowan Calculated Property |
| Pc | 1783.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2440.00 | NIST | |
| Tboil | 676.09 | K | Relay (... Calculated Property |
| Tc | 927.00 | K | Relay (... Calculated Property |
| Tfus | 366.30 | K | Relay (... Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Chloropyramine, 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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