4-[N-[2-(4-シクロヘキシルフェノキシ)エチル]エチルアミノ]-1-(2,2-ジシアノビニル)-2-メチルベンゼン
((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
基本情報
- CAS
54079-53-7- 標準SMILES
CCN(CCOc1ccc(C2CCCCC2)cc1)c1ccc(C=C(C#N)C#N)c(C)c1- InChIKey
NQAJBKZEQYYFGK-UHFFFAOYSA-N- 分子式
- C27H31N3O
- 平均分子量
- 413.6 g/mol
- 単同位体質量
- 413.24671262
名称と識別子
- 優先名称
- ((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
- IUPAC
- 2-[[4-[2-(4-cyclohexylphenoxy)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile
- 現地名
- 4-[N-[2-(4-シクロヘキシルフェノキシ)エチル]エチルアミノ]-1-(2,2-ジシアノビニル)-2-メチルベンゼン
- 英語名
- [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
- 分子式
- C27H31N3O
- 分子量
- 413.55
名称と別名
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILEPropanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-DTXSID9068908((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrilePropanedinitrile, ((4-((2-(4-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-2-[[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrilePropanedinitrile, 2-((4-((2-(4-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-Propanedinitrile, 2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-2-((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)propanedinitrileRefChem:390116DTXCID3041586Propanedinitrile, 4-2-(4-cyclohexylphenoxy)ethylethylamino-2-methylphenylmethylene-
名称をさらに表示
[4-[N-[2-(4-シクロヘキシルフェノキシ)エチル]-N-エチルアミノ]-2-メチルベンジリデン]マロノニトリル4-[N-[2-(4-シクロヘキシルフェノキシ)エチル]エチルアミノ]-1-(2,2-ジシアノビニル)-2-メチルベンゼン｛4-｛N-［2-（4-シクロヘキシルフェノキシ）エチル］-N-エチルアミノ｝-2-メチルベンジリデン｝マロノニトリル2-[(4-{[2-(4-シクロヘキシルフェノキシ)エチル](エチル)アミノ}-2-メチルフェニル)メチリデン]プロパンジニトリル[4-[エチル[2-(4-シクロヘキシルフェノキシ)エチル]アミノ]-2-メチルベンジリデン]プロパンジニトリルN-2-((4-Cyclohexyl)phenoxy)ethyl-N-ethyl-4-(2,2-dicyanoethenyl)-3-methylaniline2-(4-((2-(4-cyclohexylphenoxy)ethyl)(ethyl)amino)-2-methylbenzylidene)malononitrile
データベース識別子
- CAS
54079-53-7- PubChem CID
- 104687
- DTXSID
DTXSID9068908- UNII
- 5K2B8ZC9JD
- EC Number
- 258-964-5、925-180-6
- Nikkaji
- J22.325E
物性
構造計算による物性
- XLogP
- 7.1
- 極性表面積
- 60.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 651
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 沸点
- 611.8 · 611.8±55.0 °C(Predicted)
- 比重(密度)
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 酸解離定数(Pka)
- 1.98 · 1.98±0.50(Predicted)
- 水溶解度
- 700 ng/L · 700ng/L at 20℃
- LogP
- 7.882 at · 7.882 at 25℃
- EPAの化学物質情報
- 4 · Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]- (54079-53-7)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (120 of 120) of all reports.
Not Classified
Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile (EC: 258-964-5)
Propanedinitrile, 4-2-(4-cyclohexylphenoxy)ethylethylamino-2-methylphenylmethylene-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
化学と産業
用途と製造
General Manufacturing InformationPropanedinitrile, 2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-: ACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…