Basic information
- CAS
329700-15-4- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)cc1- InChIKey
DQGFSUNCSJBMIO-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO3
- Average molar mass
- 293.74 g/mol
- Monoisotopic mass
- 293.0818711
Names & identifiers
- Preferred name
- Ethyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
- IUPAC
- ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
- English name
- Ethyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
- Molecular formula
- C15H16ClNO3
- Molecular weight
- 293.75
Names & synonyms
329700-15-4ethyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylateethyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylateMFCD00664291ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylateOprea1_025769SCHEMBL30593827DQGFSUNCSJBMIO-UHFFFAOYSA-NCl-1127AKOS005095245ST079783CS-0361545
Show more names
3-Pyridinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
5L-0414-(4-CL-PH)-2-ME-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTERethyl 4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5-trihydropyridine-3-carboxylateethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylateethyl4-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Database identifiers
- CAS
329700-15-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 178 · 178-179 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
- Boiling point
- 471.3 · 471.3±45.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.70(Predicted)
- HS Code
- 2933399990 · 2933399990
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]
P264, P270, P301+P317, P330, 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%)
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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