- InChI
- InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
- InChI Key
- UIAGMCDKSXEBJQ-UHFFFAOYSA-N
- Formula
- C21H26N2O7
- SMILES
-
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)
OC(C)C)C1c1cccc([N+](=O)[O-])c 1 - Molecular Weight1
- 418.44
- CAS
- 66085-59-4
- Other Names
-
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester
- BAY e 9736
- Nimotop
- Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
- Admon
- Periplum
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -177.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 2.971 | Crippen Calculated Property | |
| McVol | 311.680 | ml/mol | McGowan Calculated Property |
| Pc | 1501.15 | kPa | Joback Calculated Property |
| Inp | [2840.44; 2840.44] |
|
|
| Inp | 2840.44 | NIST | |
| Inp | 2840.44 | NIST | |
| Tboil | 1124.28 | K | Joback Calculated Property |
| Tc | 1379.69 | K | Joback Calculated Property |
| Tfus | 824.54 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.57; 1043.21] | J/mol×K | [1124.28; 1379.69] |
|
| Cp,gas | 1033.16 | J/mol×K | 1124.28 | Joback Calculated Property |
| Cp,gas | 1038.89 | J/mol×K | 1166.85 | Joback Calculated Property |
| Cp,gas | 1042.25 | J/mol×K | 1209.42 | Joback Calculated Property |
| Cp,gas | 1043.21 | J/mol×K | 1251.98 | Joback Calculated Property |
| Cp,gas | 1041.76 | J/mol×K | 1294.55 | Joback Calculated Property |
| Cp,gas | 1037.89 | J/mol×K | 1337.12 | Joback Calculated Property |
| Cp,gas | 1031.57 | J/mol×K | 1379.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nimodipine.
Sources
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