Didesmethylisoproturon
基本情報
- CAS
56046-17-4- 標準SMILES
CC(C)c1ccc(NC(N)=O)cc1- InChIKey
ABBKOIZWGCVCKE-UHFFFAOYSA-N- 分子式
- C10H14N2O
- 平均分子量
- 178.23 g/mol
- 単同位体質量
- 178.11061307
概要
Isoproturon-didemethyl is a member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon. It has a role as a marine xenobiotic metabolite.
名称と識別子
- 優先名称
- Didesmethylisoproturon
- IUPAC
- (4-propan-2-ylphenyl)urea
- 英語名
- 1-(4-Isopropylphenyl)urea
- 分子式
- C10H14N2O
- 分子量
- 178.23
名称と別名
1-(4-Isopropylphenyl)ureaDidesmethylisoproturondidesmethyl isoproturonRefChem:920140isoproturon-didemethyl56046-17-4DidemethylisoproturonIsoproturon-desmethyl(4-propan-2-ylphenyl)urea(4-Isopropylphenyl)urea1-[4-(propan-2-yl)phenyl]urea[4-(propan-2-yl)phenyl]urea
名称をさらに表示
Chlorpyrifos Impurity 61Urea, N-[4-(1-methylethyl)phenyl]-C14465000 1-(4-Isopropylphenyl)ureaL14465000AL1-(4-Isopropylphenyl)urea 10μg/mL1-(4-Isopropylphenyl)urea 10 μg/mL in Acetonitrile
1-(4-Isoprophenyl)urea1-(4-isopropylphenyl)-ureaN',-(4-isopropylphenyl)ureaN'-(4-isopropylphenyl)-ureaSCHEMBL349970SCHEMBL5533028CHEBI:83514DTXSID10204592
データベース識別子
- CAS
56046-17-4- PubChem CID
- 185831
- DTXSID
DTXSID10204592- ChEBI
CHEBI:83514- Nikkaji
- J652.781G
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 55.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 172
実験および物理化学的性質
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticides -> Herbicides -> Urea herbicides -> Phenylurea herbicides -> Transformation products
物理化学的性質
- 沸点
- 272.9 · 272.9±19.0 °C(Predicted)
- 比重(密度)
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.6 · 14.60±0.50(Predicted)
化学と産業
用途と製造
Use Classification
Pesticides -> Herbicides -> Urea herbicides -> Phenylurea herbicides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
応用分野
使用(4-Isopropylphenyl)urea is a phenylurea fungicide used in wheat, grains and vegetable crops. Pesticide component.
補足説明
定義ChEBI: A member of the class of ureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon.
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