3,5-Diethyl 4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
136565-35-0- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccccc2Cl)o1- InChIKey
OMAFOSPPVBWRMB-UHFFFAOYSA-N- Molecular formula
- C23H24ClNO5
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1343006
Names & identifiers
- Preferred name
- 3,5-Diethyl 4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- diethyl 4-(5-(2-chlorophenyl)furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Molecular formula
- C23H24ClNO5
- Molecular weight
- 429.89
Names & synonyms
136565-35-03,5-diethyl 4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediethyl 4-[5-(2-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatediethyl 4-(5-(2-chlorophenyl)furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateF0344-2215diethyl 4-[5-(2-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateOprea1_384858Oprea1_693433SMSSF-0094147STK867205AKOS000627877EU-0042424
Show more names
3,5-Pyridinedicarboxylic acid, 4-[5-(2-chlorophenyl)-2-furanyl]-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
AG-690/12767431SR-01000470600SR-01000470600-1Z57458147diethyl 4-[5-(o-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Boiling point
- 536.6 · 536.6±50.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 2.89 · 2.89±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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