- InChI
- InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
- InChI Key
- QCHFTSOMWOSFHM-UHFFFAOYSA-N
- Formula
- C11H16N2O2
- SMILES
- CCC1C(=O)OCC1Cc1cncn1C
- Molecular Weight1
- 208.26
- CAS
- 92-13-7
- Other Names
-
- 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
- (3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
- Imidazole-5-butyric acid, «alpha»-ethyl-«beta»-(hydroxymethyl)-1-methyl-, «gamma»-lactone
- Pilocarpin
- Pilocarpol
- Pilocarpine, (+)-
- (+)-Pilocarpine
- Pilokarpin
- Syncarpine
- Ocusert P 20
- 3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone-, (3S,4R)-
- Ocusert Pilo
- 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 | 0.5396 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -272.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.162 | Crippen Calculated Property | |
| McVol | 162.930 | ml/mol | McGowan Calculated Property |
| Pc | 2555.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2014.00; 2060.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Tboil | 614.38 | K | Relay (1.0) Calculated Property |
| Tc | 839.13 | K | Relay (1.0) Calculated Property |
| Tfus | 348.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pilocarpine.
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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