2-エチル-N-(2-メトキシ-1-メチルエチル)-6-メチルアニリン

Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-

HCID 65298CAS 51219-00-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCc1cccc(C)c1NC(C)COC
InChIKey: YXWIRQHVEQIJOV-UHFFFAOYSA-N
分子式: C13H21NO
平均分子量: 207.31 g/mol
単同位体質量: 207.16231429

名称と識別子

優先名称: Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-
IUPAC: 2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline
現地名: 2-エチル-N-(2-メトキシ-1-メチルエチル)-6-メチルアニリン
英語名: 2-ethyl-N-(2-methoxyisopropyl)-6-methylaniline
分子式: C13H21NO
分子量: 207.31

名称と別名

2-Ethyl-N-(2-methoxyisopropyl)-6-methylanilineBenzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-DeschloroacetylmetolachlorEINECS 257-061-3DTXSID108859462-Ethyl-6-methyl-N-(1'-methyl-2-methoxyethyl)anilineRefChem:561693DTXCID901025301257-061-351219-00-22-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilineMFCD16787883

名称をさらに表示

N-(1-メチル-2-メトキシエチル)-2-エチル-6-メチルアニリン2-エチル-N-(2-メトキシ-1-メチルエチル)-6-メチルアニリン2-エチル-N-(1-メトキシプロパン-2-イル)-6-メチルアニリンN-(1-Methoxy-2-propyl)-2-ethyl-6-methylaniline2-Ethyl-6-methyl-N-(1'-methoxy-2'-propyl)anilineN-(1-Methyl-2-methoxyethyl)-2-ethyl-6-methylaniline2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methylanilineMetolachlor-des(chloroacetyl) 100 μg/mL in Acetonitrile

2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-benzenamine2-?Ethyl-?N-?(2-?methoxy-?1-?methylethyl)?-?6-?methyl-benzenamine2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methylbenzenamine; 2-Ethyl-6-methyl-N-(1'-methoxy-2'-propyl)aniline; Deschloroacetylmetolachlor; N-(1-Methoxy-2-propyl)-2-ethyl-6-methylanilineMetolachlor des(chloroacetyl)Metolachlor-des(chloroacetyl)SCHEMBL3466659YXWIRQHVEQIJOV-UHFFFAOYSA-NBCA21900

データベース識別子

CAS: 51219-00-2
PubChem CID: 65298
DTXSID: DTXSID10885946
EC Number: 257-061-3
Nikkaji: J261.661K

物性

構造計算による物性

XLogP: 3.4
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 172

物理化学的性質

沸点: 315.9 · 315.9±37.0 °C(Predicted)
比重(密度): 0.967 · 0.967±0.06 g/cm3(Predicted)
溶解性: ジクロロメタン;メタノール;トルエン
外見: 油
酸解離定数(Pka): 4.74 · 4.74±0.50(Predicted)
色: 黄色
EPAの化学物質情報: 2 · Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl- (51219-00-2)

安全と法規制

GHS分類

GHS Classification · 3 件

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-: INACTIVE

応用分野 · 1 件

使用2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-benzenamine is an intermediate in synthesizing Metolachlor (M338700), an acyanilide herbicide similar to selective pre-emergence herbicides (1). It is a contaminant in the groundwater and potential pollutant (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

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