Basic information
- CAS
73257-45-1- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1- InChIKey
AGKZWJBDPZPJDG-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO4
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0924357
Names & identifiers
- Preferred name
- Dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C17H18ClNO4
- Molecular weight
- 335.78
Names & synonyms
dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate73257-45-1SR-01000359383Oprea1_200156Oprea1_625115CHEMBL38597CHEMBL2063801STK821070AKOS0006731483,5-dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateAF-499/00045032SR-01000359383-1
Show more names
3,5-Pyridinedicarboxylic acid, 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3,5-dimethyl ester
SR-01000359383-2Z903503704-(3-CL-PH)-2,6-DIMETHYL-1,4-2H-PYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTERdimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Database identifiers
- CAS
73257-45-1- PubChem CID
- 704258
- ChEMBL
CHEMBL2063801、CHEMBL38597- EC Number
- 167-519-3
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Boiling point
- 447.8 · 447.8±45.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 2.84 · 2.84±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
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
Suppliers1 total
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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