Diethyl 4-(4-meo-3-methyl-PH)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Basic information
- CAS
892149-78-9- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)c(C)c1- InChIKey
LKHUKDBQIHNKHR-UHFFFAOYSA-N- Molecular formula
- C21H27NO5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.18892296
Names & identifiers
- Preferred name
- Diethyl 4-(4-meo-3-methyl-PH)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- diethyl 4-(4-methoxy-3-methylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Diethyl 4-(4-MeO-3-methyl-Ph)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C21H27NO5
- Molecular weight
- 373.44
Names & synonyms
AKOS024405362DIETHYL 4-(4-MEO-3-METHYL-PH)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-methoxy-3-methylphenyl)-2,6-dimethyl-, 3,5-diethyl ester
Database identifiers
- CAS
892149-78-9- PubChem CID
- 3337337
- EC Number
- 121-915-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Boiling point
- 489.891 · 489.891±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.15 · 3.150±0.70(predicted)
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Compound notes
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