Acetanilide, 2-morpholino-2',4',6'-trichloro-
Basic information
- CAS
67624-98-0- Standard SMILES
O=C(CN1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl- InChIKey
IBOXGQFTAOXOID-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3N2O2
- Average molar mass
- 323.6 g/mol
- Monoisotopic mass
- 322.004261
Names & identifiers
- Preferred name
- Acetanilide, 2-morpholino-2',4',6'-trichloro-
- IUPAC
- 2-morpholin-4-yl-N-(2,4,6-trichlorophenyl)acetamide
- English name
- 2-Morpholino-2',4',6'-trichloroacetanilide
- Molecular formula
- C12H13Cl3N2O2
- Molecular weight
- 323.6
Names & synonyms
67624-98-02-Morpholino-2',4',6'-trichloroacetanilideBRN 2761350Acetanilide, 2-morpholino-2',4',6'-trichloro-Acetamide, 2-(4-morpholino)-N-(2,4,6-trichlorophenyl)-DTXSID10217940RefChem:315766DTXCID601404312-(4-morpholinyl)-N-(2,4,6-trichlorophenyl)acetamide2-morpholin-4-yl-N-(2,4,6-trichlorophenyl)acetamideMLS000665942CHEMBL1870244
Show more names
4-Morpholineacetamide, N-(2,4,6-trichlorophenyl)-
HMS2688H182-(MORPHOLIN-4-YL)-N-(2,4,6-TRICHLOROPHENYL)ACETAMIDEAKOS001052912NCGC00245682-01SMR000294627AF-399/15032033SR-01000279946SR-01000279946-1
Database identifiers
- CAS
67624-98-0- PubChem CID
- 49949
- DTXSID
DTXSID10217940- ChEMBL
CHEMBL1870244- Nikkaji
- J73.592B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility>48.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 467.5 · 467.5±45.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 11.73 · 11.73±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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