- InChI
- InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
- InChI Key
- ALWKGYPQUAPLQC-UHFFFAOYSA-N
- Formula
- C12H19N2O2
- SMILES
-
CN(C)C(=O)Oc1cccc([N+](C)(C)C)
c1 - Molecular Weight1
- 223.29
- CAS
- 59-99-4
- Other Names
-
- Ammonium, (m-hydroxyphenyl)trimethyl-, dimethylcarbamate
- Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-
- Eustigmin
- Eustigmine
- (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate
- Prostigmin
- Prostigmine
- Vagostigmine
- 3-[[(Dimethylamino)carbonyl]oxy]-N,N,N-trimethylbenzenaminium
- Proserine
- Synstigmin
- Synstigmine
- (m-Hydroxyphenyl)dimethylamine dimethylcarbamate
- 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).
- 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 | 0.6011 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.944 | Crippen Calculated Property | |
| McVol | 185.730 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Tboil | 540.08 | K | Relay (1.0) Calculated Property |
| Tc | 785.64 | K | Relay (1.0) Calculated Property |
| Tfus | 423.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.73; 565.35] | J/mol×K | [607.49; 811.98] | 
|
| Cp,gas | 477.73 | J/mol×K | 607.49 | Joback Calculated Property |
| Cp,gas | 494.72 | J/mol×K | 641.57 | Joback Calculated Property |
| Cp,gas | 510.74 | J/mol×K | 675.65 | Joback Calculated Property |
| Cp,gas | 525.80 | J/mol×K | 709.73 | Joback Calculated Property |
| Cp,gas | 539.92 | J/mol×K | 743.81 | Joback Calculated Property |
| Cp,gas | 553.10 | J/mol×K | 777.90 | Joback Calculated Property |
| Cp,gas | 565.35 | J/mol×K | 811.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neostigmine.
Sources
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