- InChI
- InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
- InChI Key
- MEZLKOACVSPNER-UHFFFAOYSA-N
- Formula
- C13H17N
- SMILES
- C#CCN(C)C(C)Cc1ccccc1
- Molecular Weight1
- 187.28
- CAS
- 14611-51-9
- Other Names
-
- (R)-((-))-N,«alpha»-Dimethyl-N-2-propynylphenethylamine
- (-)-Deprenil
- Eldepryl
- Jumex
- L-Deprenyl
- N-Methyl-N-(1-methyl-2-phenylethyl)-2-propyn-1-amine-, L-(-)-
- Selegiline-, (-)-
- (-)-Selegiline
- Anipryl
- Benzeneethanamine, N,«alpha»-methyl-N-2-propynyl-, («alpha»R)-
- Benzeneethanamine, N,«alpha»-dimethyl-N-2-propyn-1-yl-, («alpha»R)-
- Benzeneethanamine, N,.alpha.-dimethyl-N-2-propynyl-, (R)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.3634 | Relay (1.0) Calculated Property | |
| ΔfG° | 502.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 288.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.183 | Crippen Calculated Property | |
| McVol | 171.650 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [1439.70; 1439.70] |
|
|
| Inp | 1439.70 | NIST | |
| Inp | 1439.70 | NIST | |
| Tboil | 532.66 | K | Relay (1.0) Calculated Property |
| Tc | 723.45 | K | Relay (1.0) Calculated Property |
| Tfus | 262.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.41; 481.16] | J/mol×K | [525.64; 737.90] |
|
| Cp,gas | 391.41 | J/mol×K | 525.64 | Joback Calculated Property |
| Cp,gas | 408.98 | J/mol×K | 561.02 | Joback Calculated Property |
| Cp,gas | 425.43 | J/mol×K | 596.39 | Joback Calculated Property |
| Cp,gas | 440.81 | J/mol×K | 631.77 | Joback Calculated Property |
| Cp,gas | 455.19 | J/mol×K | 667.15 | Joback Calculated Property |
| Cp,gas | 468.62 | J/mol×K | 702.52 | Joback Calculated Property |
| Cp,gas | 481.16 | J/mol×K | 737.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Selegiline.
Sources
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