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CAS No.: | 86189-69-7 |
---|---|
Name: | Felodipine |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C18H19Cl2NO4 |
Molecular Weight: | 384.259 |
Synonyms: | Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; |
Density: | 1.277 g/cm3 |
Melting Point: | 142-145℃ |
Boiling Point: | 471.5 °C at 760 mmHg |
Flash Point: | 239 °C |
Solubility: | DMSO: 28 mg/mL |
Appearance: | Powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 64.63000 |
LogP: | 4.29310 |
The 3,5-Pyridinedicarboxylicacid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-methyl ester is an organic compound with the formula C18H19Cl2NO4. The IUPAC name of this chemical is 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. With the CAS registry number 86189-69-7, it is also named as 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Ethyl Methyl Ester.
Physical properties about 3,5-Pyridinedicarboxylicacid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-methyl ester are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2764.46; (5)ACD/BCF (pH 7.4): 2769.02; (6)ACD/KOC (pH 5.5): 10113.32; (7)ACD/KOC (pH 7.4): 10130; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 95.78 cm3; (14)Molar Volume: 300.8 cm3; (15)Polarizability: 37.97×10-24cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.277 g/cm3; (18)Flash Point: 239 °C; (19)Enthalpy of Vaporization: 73.43 kJ/mol; (20)Boiling Point: 471.5 °C at 760 mmHg; (21)Vapour Pressure: 4.62E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)\C1=C(\N/C(=C(/C(=O)OC)C1c2cccc(Cl)c2Cl)C)C
(2)InChI: InChI=1/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
(3)InChIKey: RZTAMFZIAATZDJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
(5)Std. InChIKey: RZTAMFZIAATZDJ-UHFFFAOYSA-N