Basic information
- CAS
182678-66-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1- InChIKey
APWYDWRFWROZIT-UHFFFAOYSA-N- Molecular formula
- C24H25NO5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.1732729
Names & identifiers
- Preferred name
- Dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 4-(4-Benzyloxy-Ph)-2,6-di-Me-1,4-2H-pyridine-3,5-dicarboxylic acid di-Me ester
- Molecular weight
- 0
Names & synonyms
182678-66-6Dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-dimethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateOprea1_816624CHEMBL2063959HMS3429D11EBC-07598STK803607AKOS001664884EU-0081436ST50041684
Show more names
EN300-18256793Z572181764-(4-BENZYLOXY-PH)-2,6-DI-ME-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DI-ME ESTER
Database identifiers
- CAS
182678-66-6- PubChem CID
- 985408
- ChEMBL
CHEMBL2063959- EC Number
- 167-725-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 658
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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