基本情報
- CAS
120375-14-6- 標準SMILES
CCc1cccc(C)c1N1C(=O)COCC1C- InChIKey
DVBDYPDVNRJKNJ-UHFFFAOYSA-N- 分子式
- C14H19NO2
- 平均分子量
- 233.31 g/mol
- 単同位体質量
- 233.14157885
概要
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.
名称と識別子
- 優先名称
- Metolachlor morpholinone
- IUPAC
- 4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
- 英語名
- 4-(2-Ethyl-6-methylphenyl)-5-methyl-3-morpholinone
- 分子式
- C14H19NO2
- 分子量
- 233.31
名称と別名
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
名称をさらに表示
Metolachor-morpholinoneMetolachor-morpholinone in methanolC13349000 4-(2-Ethyl-6-methylphenyl)-5-methyl3-Morpholinone, 4-(2-ethyl-6-methylphenyl)-5-methyl-
Q27156894
データベース識別子
- CAS
120375-14-6- PubChem CID
- 179957
- DTXSID
DTXSID30891443- ChEBI
CHEBI:83509- Nikkaji
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 279
実験および物理化学的性質
Pesticides
Pesticide -> transformation product
Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
化学と産業
用途と製造
Use ClassificationPesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
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補足説明
定義ChEBI: 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.
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