3',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl(2,4'-bipyridine)-3',5'-dicarboxylate
Basic information
- CAS
23125-28-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1- InChIKey
RDWSCKBHQLBBSE-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.15795719
Names & identifiers
- Preferred name
- 3',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl(2,4'-bipyridine)-3',5'-dicarboxylate
- IUPAC
- diethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 2,6-Dimethyl-4-(2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
- Molecular formula
- C18H22N2O4
- Molecular weight
- 330.38
Names & synonyms
23125-28-23,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)-, diethyl esterDiethyl 2,6-dimethyl-4(2-pyridyl)-1,4-dihydro-3,5-pyridine-dicarboxylate(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, diethyl esterDTXSID901776943',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl[2,4'-bipyridine]-3',5'-dicarboxylate3',5'-Diethyl 1',4'-dihydro-2',6'-dimethyl(2,4'-bipyridine)-3',5'-dicarboxylateRefChem:1065391DTXCID501001859J5MDH4N8CMLS003115640Diethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate
Show more names
Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)-, diethyl ester2',6'-DIMETHYL-1',4'-2H-(2,4')BIPYRIDINYL-3',5'-DICARBOXYLIC ACID DIETHYL ESTER2',6'-DIMETHYL-1',4'-2H-(2,4')BIPYRIDINYL-3',5'-DICARBOXYLIC ACID DIETHYL ESTER3',5'-diethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate2,6-Dimethyl-4-(2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester2,6-Dimethyl-4-(2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid diethyl ester
NSC-2919343',5'-Dicarbethoxy-2',6'-dimethyl-1',4'-dihydro-2,4-bipyridineBAY 1518BAY-1518NSC 291934BRN 0308677diethyl 2,6-dimethyl-1,4-dihydro-2',4-bipyridine-3,5-dicarboxylatediethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
23125-28-2- PubChem CID
- 99955
- DTXSID
DTXSID90177694- ChEMBL
CHEMBL24024、CHEMBL3210728- UNII
- 9J5MDH4N8C
- EC Number
- 159-608-0
- Nikkaji
- J85.650I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 J5MDH4N8C · 9J5MDH4N8C
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%)
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Compound notes
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