- InChI
- InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
- InChI Key
- HTMIBDQKFHUPSX-UHFFFAOYSA-N
- Formula
- C18H20N2S
- SMILES
-
CN1CCC(CN2c3ccccc3Sc3ccccc32)C
1 - Molecular Weight1
- 296.43
- CAS
- 1982-37-2
- Other Names
-
- 10H-Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-
- Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-
- MJ 5022
- Tacaryl
- 10-[(1-Methyl-3-Pyrrolidinyl)methyl]phenothiazine
- NCI-C60720
- Tacazyl
- Product 5022
- Tacryl
- 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 | 0.5746 | Relay (1.0) Calculated Property | |
| ΔfG° | 405.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 240.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.25 ± 0.10 | eV | NIST |
| log10WS | -4.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.241 | Crippen Calculated Property | |
| McVol | 231.550 | ml/mol | McGowan Calculated Property |
| Pc | 2134.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2421.00; 2470.00] |
|
|
| Inp | 2421.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2467.00 | NIST | |
| Inp | 2421.00 | NIST | |
| Inp | 2467.00 | NIST | |
| Tboil | 703.17 | K | Relay (1.0) Calculated Property |
| Tc | 962.23 | K | Relay (1.0) Calculated Property |
| Tfus | 391.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methdilazine.
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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