Basic information
- CAS
120375-14-6- Standard SMILES
CCc1cccc(C)c1N1C(=O)COCC1C- InChIKey
DVBDYPDVNRJKNJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Overview
Metolachlor morpholinone is a member of the class of morpholines that is morpholin-3-one substituted by a 2-ethyl-6-methylphenyl group at position 4 and a methyl group at position 5. It is a metabolite of metolachlor. It has a role as a marine xenobiotic metabolite. It is a member of morpholines and a delta-lactam.
Names & identifiers
- Preferred name
- Metolachlor morpholinone
- IUPAC
- 4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
- English name
- 4-(2-Ethyl-6-methylphenyl)-5-methyl-3-morpholinone
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
metolachlor morpholinone120375-14-64-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-oneCHEBI:83509DTXSID30891443RefChem:1089727DTXCID7010305564-(2-Ethyl-6-methylphenyl)-5-methyl-3-morpholinoneMetolachlor-MorpholinoneMorpholin-3-one, 4-(2-ethyl-6-methylphenyl)-5-methyl-NS000000594-(2-methyl-6-ethylphenyl)-5-methyl morpholin-3-one
Show more names
Metolachor-morpholinoneMetolachor-morpholinone in methanolC13349000 4-(2-Ethyl-6-methylphenyl)-5-methyl3-Morpholinone, 4-(2-ethyl-6-methylphenyl)-5-methyl-
Q27156894
Database identifiers
- CAS
120375-14-6- PubChem CID
- 179957
- DTXSID
DTXSID30891443- ChEBI
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Pesticides
Pesticide -> transformation product
Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
Chemistry & industry
Uses & manufacturing
Use ClassificationPesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of morpholines that is morpholin-3-one substituted by a 2-ethyl-6-methylphenyl group at position 4 and a methyl group at position 5. It is a metabolite of metolachlor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…