Chem
J-GLOBAL ID：200907028262514481   Nikkaji number：J2.297.466A

1,3-Bis[3-bromo-5-(2-aminoethyl)phenylethynyl]benzene

1,3-ビス[3-ブロモ-5-(2-アミノエチル)フェニルエチニル]ベンゼン
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： C26H22Br2N2
Molecular formula furigana： C26-H22-BR2-N2
Molecular weight： 522.284
InChI： InChI=1S/C26H22Br2N2/c27-25-15-21(13-23(17-25)8-10-29)6-4-19-2-1-3-20(12-19)5-7-22-14-24(9-11-30)18-26(28)16-22/h1-3,12-18H,8-11,29-30H2
InChI key： JSVQCKAPBSOZCB-UHFFFAOYSA-N
SMILES： NCCc1cc(Br)cc(c1)C#Cc1cccc(c1)C#Cc1cc(Br)cc(CCN)c1
Systematic name  (3)：
  • 1,3-ビス[3-ブロモ-5-(2-アミノエチル)フェニルエチニル]ベンゼン
  • 2-{3-[2-(3-{2-[3-(2-アミノエチル)-5-ブロモフェニル]エチニル}フェニル)エチニル]-5-ブロモフェニル}エタン-1-アミン
  • 2-{3-[2-(3-{2-[3-(2-aminoethyl)-5-bromophenyl]ethynyl}phenyl)ethynyl]-5-bromophenyl}ethan-1-amine
Other name (1)：
  • 1,3-Bis[3-bromo-5-(2-aminoethyl)phenylethynyl]benzene
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