3,5-Dimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
324577-00-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(C)C)cc1- InChIKey
KIDDUMMFQDUTSG-UHFFFAOYSA-N- Molecular formula
- C20H25NO4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17835828
Names & identifiers
- Preferred name
- 3,5-Dimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- dimethyl 4-(4-isopropylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Molecular formula
- C20H25NO4
- Molecular weight
- 343.42
Names & synonyms
324577-00-63,5-dimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateChemDiv3_001165Oprea1_581032Oprea1_584202SCHEMBL3118745CHEMBL2063650HMS1476E21CCG-16028EBC-07559STK861971
Show more names
4(4-ISOPROPYL-PH)-2,6-DI-ME-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTERdimethyl 4-(4-isopropylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylatedimethyl 4-(4-isopropylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[4-(1-methylethyl)phenyl]-, 3,5-dimethyl ester
AKOS000672995dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylateIDI1_020131NCGC00172927-01EN300-18357169SR-01000419727SR-01000419727-1BRD-K09578098-001-01-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 456.1 · 456.1±45.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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