Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
43114-34-7- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OC)c1- InChIKey
UVZJDLNWYRQSSL-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Names & identifiers
- Preferred name
- Dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.36
Names & synonyms
dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate43114-34-7Oprea1_554463CHEMBL294764CHEMBL5198190STK797400AKOS000527818AB00114475-01AE-842/33707047Z572181644-(3-MEO-PH)-2,6-DIMETHYL-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTERdimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Show more names
2,6-dimethyl-3,5-di(methoxycarbonyl)-4-(m-methoxyphenyl)-1,4-dihydropyridine3,5-dimethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-methoxyphenyl)-2,6-dimethyl-, 3,5-dimethyl ester
Database identifiers
- CAS
43114-34-7- PubChem CID
- 737072
- ChEMBL
CHEMBL294764、CHEMBL5198190- EC Number
- 158-259-1
- Nikkaji
- J331.414F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
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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