Chem
J-GLOBAL ID：201707009654145695   Nikkaji number：J3.622.230A

1-[1-(tert-Butyloxycarbonyl)hexahydro-1H-azepine-2-yl]hydrazine-1,2-dicarboxylic acid bis(2,2,2-trichloroethyl) ester

1-[1-(tert-ブチルオキシカルボニル)ヘキサヒドロ-1H-アゼピン-2-イル]ヒドラジン-1,2-ジカルボン酸ビス(2,2,2-トリクロロエチル)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H25Cl6N3O6
Molecular formula furigana： C17-H25-CL6-N3-O6
Molecular weight： 580.100
InChI： InChI=1S/C17H25Cl6N3O6/c1-15(2,3)32-13(28)25-8-6-4-5-7-11(25)26(14(29)31-10-17(21,22)23)24-12(27)30-9-16(18,19)20/h11H,4-10H2,1-3H3,(H,24,27)
InChI key： FBEPNNVSMFTWJC-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)N1CCCCCC1N(NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl
Systematic name  (3)：
  • 1-[1-(tert-ブチルオキシカルボニル)ヘキサヒドロ-1H-アゼピン-2-イル]ヒドラジン-1,2-ジカルボン酸ビス(2,2,2-トリクロロエチル)
  • tert-ブチル 2-{[(2,2,2-トリクロロエトキシ)カルボニル]({[(2,2,2-トリクロロエトキシ)カルボニル]アミノ})アミノ}アゼパン-1-カルボキシラート
  • tert-butyl 2-{[(2,2,2-trichloroethoxy)carbonyl]({[(2,2,2-trichloroethoxy)carbonyl]amino})amino}azepane-1-carboxylate
Other name (1)：
  • 1-[1-(tert-Butyloxycarbonyl)hexahydro-1H-azepine-2-yl]hydrazine-1,2-dicarboxylic acid bis(2,2,2-trichloroethyl) ester
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