Ethyl 5-cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
Basic information
- CAS
89516-24-5- Standard SMILES
CCOC(=O)c1nn(-c2ccccc2)c(=O)c(C#N)c1C- InChIKey
PEPXEKVWZCZSGF-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.09569129
Names & identifiers
- Preferred name
- Ethyl 5-cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
- IUPAC
- ethyl 5-cyano-4-methyl-6-oxo-1-phenylpyridazine-3-carboxylate
Names & synonyms
ethyl 5-cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate89516-24-5RefChem:595759894-170-0ethyl 5-cyano-4-methyl-6-oxo-1-phenylpyridazine-3-carboxylate5-Cyano-4-methyl-6-oxo-1-phenyl-1,6-dihydro-pyridazine-3-carboxylic acid ethyl esterPEPXEKVWZCZSGF-UHFFFAOYSA-NMLS000074997CHEMBL1565016SCHEMBL14668518HMS1686D18HMS2349L23
Show more names
HTS20670STK278375AKOS000552454NCGC00030053-02SMR000013553AE-641/01091010SR-01000320115SR-01000320115-1
Database identifiers
- CAS
89516-24-5- PubChem CID
- 648952
- ChEMBL
CHEMBL1565016- EC Number
- 894-170-0
- Nikkaji
- J715.153E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 562
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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, P317, 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%)
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Compound notes
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