Chem
J-GLOBAL ID：200907045813715876   Nikkaji number：J634.552B

1,1′-[(2-Bromo-1,4-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)

1,1′-[(2-ブロモ-1,4-フェニレン)ビスメチレン]ビス(1,4,8,11-テトラアザシクロテトラデカン)
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： C28H53BrN8
Molecular formula furigana： C28-H53-BR-N8
Molecular weight： 581.692
InChI： InChI=1S/C28H53BrN8/c29-28-23-26(24-36-19-3-11-32-15-13-30-7-1-9-34-17-21-36)5-6-27(28)25-37-20-4-12-33-16-14-31-8-2-10-35-18-22-37/h5-6,23,30-35H,1-4,7-22,24-25H2
InChI key： CGBPRRHXVCXIKY-UHFFFAOYSA-N
SMILES： Brc1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
Systematic name  (3)：
  • 1,1′-[(2-ブロモ-1,4-フェニレン)ビスメチレン]ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1-({3-ブロモ-4-[(1,4,8,11-テトラアザシクロテトラデカン-1-イル)メチル]フェニル}メチル)-1,4,8,11-テトラアザシクロテトラデカン
  • 1-({3-bromo-4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
Other name (1)：
  • 1,1′-[(2-Bromo-1,4-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)
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