- InChI
- InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
- InChI Key
- WFNAKBGANONZEQ-UHFFFAOYSA-N
- Formula
- C18H21ClN2
- SMILES
-
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2
)CC1 - Molecular Weight1
- 300.83
- CAS
- 82-93-9
- Other Names
-
- Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-methyl-
- Piperazine, 1-(p-chloro-«alpha»-phenylbenzyl)-4-methyl-
- Alergicide
- Chlorcycline
- Chlorocycline
- Chlorocyclizine
- Compound 47-282
- Di-paralen
- Di-paralene
- N-Methyl-N'-(4-chlorobenzhydryl)piperazine
- Perazyl
- Trihistan
- 1-(p-Chloro-«alpha»-phenylbenzyl)-4-methylpiperazine
- 1-(4-Chlorobenzhydryl)-4-methylpiperazine
- 1-[(4-Chlorophenyl)phenylmethyl]-4-methylpiperazine
- Histantin
- Histantine
- NSC 25246
- 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 | 0.5258 | Relay (1.0) Calculated Property | |
| ΔfG° | 398.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 218.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.677 | Crippen Calculated Property | |
| McVol | 238.300 | ml/mol | McGowan Calculated Property |
| Pc | 2122.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2225.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2225.00 | NIST | |
| Tboil | 652.90 | K | Relay (1.0) Calculated Property |
| Tc | 904.21 | K | Relay (1.0) Calculated Property |
| Tfus | 373.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Chlorcyclizine.
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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