基本情報
- CAS
16421-40-2- 標準SMILES
COc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)Cc1ccccc1- InChIKey
DFAKODSMQXHLIH-UHFFFAOYSA-N- 分子式
- C26H25ClN6O8
- 平均分子量
- 585 g/mol
- 単同位体質量
- 584.1422395
名称と識別子
- 優先名称
- Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-
- IUPAC
- 2-[5-acetamido-N-benzyl-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
- 現地名
- N-[5-[[2-(アセチルオキシ)エチル](フェニルメチル)アミノ]-2-[(2-クロロ-4,6-ジニトロフェニル)アゾ]-4-メトキシフェニル]アセトアミド
- 英語名
- 2-[[5-acetamide-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetate
- 分子式
- C26H25ClN6O8
- 分子量
- 584.97
名称と別名
EINECS 240-470-6Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-2-((5-Acetamide-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)benzylamino)ethyl acetateAcetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-((2-chloro-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-N-[5-[[2-(Acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide2-[[5-acetamide-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetateAcetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-N-(5-((2-(Acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)acetamideRefChem:551746240-470-6Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2-chloro-4,6-dinitrophenyl)azo-4-methoxyphenyl-
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 184 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 11
- 回転可能結合数
- 11
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 940
物理化学的性質
- 沸点
- 804.221 · 804.221±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.411 · 1.411±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 13.373 · 13.373±0.70(predicted)
- EPAの化学物質情報
- 5 · Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]- (16421-40-2)
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 ClassificationNot Classified
危険有害性情報
Regulatory Information
Chemical: Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2-chloro-4,6-dinitrophenyl)azo-4-methoxyphenyl-: 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 - Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationAcetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-: ACTIVE
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