- InChI
- InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
- InChI Key
- HYIMSNHJOBLJNT-UHFFFAOYSA-N
- Formula
- C17H18N2O6
- SMILES
-
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)
C1c1ccccc1[N+](=O)[O-] - Molecular Weight1
- 346.33
- CAS
- 21829-25-4
- Other Names
-
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
- 4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
- Adalat
- Adalat CC
- Bay a 1040
- Citilat
- Cordipin
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
- Fenihidine
- Hexadilat
- Introcar
- Kordafen
- Nifedicor
- Nifedin
- Nifelan
- Nifelat
- Nifensar XL
- Orix
- Oxcord
- Pidilat
- Procardia
- Procardia XL
- Sepamit
- Tibricol
- Zenusin
- dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- dimethyl 4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 55.85 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.76; -4.64] |
|
|
| log10WS | -4.64 | Aq. Solubility Prediction | |
| log10WS | -4.76 | Estimated Solubility | |
| logPoct/wat | 2.176 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Inp | [2536.74; 2536.74] |
|
|
| Inp | 2536.74 | NIST | |
| Inp | 2536.74 | NIST | |
| Tboil | 634.53 | K | Relay (1.0) Calculated Property |
| Tfus | 446.65 | K | Determination and correlation thermodynamic models for solid liquid equilibrium of the Nifedipine in pure and mixture organic solvents |
| Ttriple | 317.60 | K | Endothermic features on heating of glasses show that the second glass to liquid transition of water was phenomenologically-mistaken |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [773.04; 800.18] | J/mol×K | [974.84; 1223.86] |
|
| Cp,gas | 773.04 | J/mol×K | 974.84 | Joback Calculated Property |
| Cp,gas | 782.16 | J/mol×K | 1016.34 | Joback Calculated Property |
| Cp,gas | 789.44 | J/mol×K | 1057.85 | Joback Calculated Property |
| Cp,gas | 794.88 | J/mol×K | 1099.35 | Joback Calculated Property |
| Cp,gas | 798.46 | J/mol×K | 1140.85 | Joback Calculated Property |
| Cp,gas | 800.18 | J/mol×K | 1182.36 | Joback Calculated Property |
| Cp,gas | 800.03 | J/mol×K | 1223.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nifedipine.
Mixtures
- Nifedipine + Methyl Alcohol
- Nifedipine + Ethanol
- Nifedipine + 1-Butanol
- Nifedipine + Acetone
- Nifedipine + Acetonitrile
- Nifedipine + Ethyl Acetate
- Nifedipine + Tetrahydrofuran
- Nifedipine + Acetonitrile + Tetrahydrofuran
- Nifedipine + Carbon dioxide
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
- Determination and correlation thermodynamic models for solid liquid equilibrium of the Nifedipine in pure and mixture organic solvents
- Endothermic features on heating of glasses show that the second glass to liquid transition of water was phenomenologically-mistaken
- Determining the Solubility of Nifedipine and Quinine in Supercritical Fluid Carbon Dioxide Using Continuously Stirred Static Solubility Apparatus Interfaced with Online Supercritical Fluid Chromatography
- Phase solubility studies of poorly soluble drug molecules by using O-phosphorylated calixarenes as drug solubilizing agents
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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