4-chloro-5-(dimethylamino)-2-(2-oxopropyl)-3(2H)-pyridazinone
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Basic information
- CAS
477855-87-1- Standard SMILES
CC(=O)Cn1ncc(N(C)C)c(Cl)c1=O- InChIKey
CKXNGBLRXYMYKD-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O2
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0618043
Names & identifiers
- Preferred name
- 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)-3(2H)-pyridazinone
- IUPAC
- 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one
- English name
- 4-CHLORO-5-(DIMETHYLAMINO)-2-(2-OXOPROPYL)-3(2H)-PYRIDAZINONE
- Molecular formula
- C9H12ClN3O2
- Molecular weight
- 229.66
Names & synonyms
477855-87-14-chloro-5-(dimethylamino)-2-(2-oxopropyl)-3(2H)-pyridazinoneMFCD020820994-chloro-5-(dimethylamino)-2-(2-oxopropyl)-2,3-dihydropyridazin-3-one4-chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3-one4-Chloro-5-(dimethylamino)-2-(2-oxopropyl)pyridazin-3(2H)-oneDTXSID501181183AKOS01599191911N-407S2-acetonyl-4-chloro-5-(dimethylamino)pyridazin-3-one3(2H)-Pyridazinone, 4-chloro-5-(dimethylamino)-2-(2-oxopropyl)-
Database identifiers
- CAS
477855-87-1- PubChem CID
- 1474948
- DTXSID
DTXSID501181183
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 294.3 · 294.3±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 1.43 · 1.43±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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