Diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
301306-00-3- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2cccc(Cl)c2)o1- InChIKey
TZVHMNCOKQYGJE-UHFFFAOYSA-N- Molecular formula
- C23H24ClNO5
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1343006
Names & identifiers
- Preferred name
- Diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- diethyl 4-(5-(3-chlorophenyl)furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Molecular formula
- C23H24ClNO5
- Molecular weight
- 429.89
Names & synonyms
diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate301306-00-3diethyl 4-(5-(3-chlorophenyl)furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateOprea1_008492Oprea1_784503STK867206AKOS000533758SR-01000430554SR-01000430554-1Z57090026F0344-2218diethyl 4-[5-(3-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Show more names
3,5-Pyridinedicarboxylic acid, 4-[5-(3-chlorophenyl)-2-furanyl]-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
3,5-diethyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
301306-00-3- PubChem CID
- 983386
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
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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