- InChI
- InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
- InChI Key
- RCGYDFVCAAKKNG-UHFFFAOYSA-N
- Formula
- C14H19N3S
- SMILES
- CN(C)CCN(Cc1ccsc1)c1ccccn1
- Molecular Weight1
- 261.39
- CAS
- 91-79-2
- Other Names
-
- 1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-
- Pyridine, 2-[[2-(dimethylamino)ethyl]-3-thenylamino]-
- Dethlandiamine
- Dethylandiamine
- Tenfidil
- Thefanil
- Thenfadil
- Thenyldiamine (pharmaceutical)
- WIN 2848
- 2-[(2-Dimethylaminoethyl)-3-thenylamino]pyridine
- N-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine
- N-(«alpha»-Pyridyl)-N-(«beta»-thenyl)-N',N'-dimethylethylenediamine
- NCI-C60640
- 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 | 0.5944 | Relay (1.0) Calculated Property | |
| ΔfG° | 448.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 254.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.711 | Crippen Calculated Property | |
| McVol | 211.190 | ml/mol | McGowan Calculated Property |
| Pc | 2362.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1963.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 1992.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 626.66 | K | Relay (1.0) Calculated Property |
| Tc | 862.03 | K | Relay (1.0) Calculated Property |
| Tfus | 308.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thenyldiamine.
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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