Chem
J-GLOBAL ID:200907084574166178
Nikkaji number:J634.556E
1,1′-(2-Bromo-m-phenylenebismethylene)bis(1,4,8,11-tetraazacyclotetradecane)
1,1′-(2-ブロモ-m-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)
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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:
C28 H53 BrN8
Molecular formula furigana:
C28-H53-BR-N8
Molecular weight:
581.692
InChI:
InChI=1S/C28H53BrN8/c29-28-26(24-36-20-4-12-32-16-14-30-8-2-10-34-18-22-36)6-1-7-27(28)25-37-21-5-13-33-17-15-31-9-3-11-35-19-23-37/h1,6-7,30-35H,2-5,8-25H2
InChI key:
JEHQYMLZRFQEAN-UHFFFAOYSA-N
SMILES:
Brc1c(CN2CCCNCCNCCCNCC2)cccc1CN1CCCNCCNCCCNCC1
Systematic name (4):
1,1′-(2-ブロモ-m-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)
1,1′-[(2-ブロモ-1,3-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-({2-ブロモ-3-[(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-({2-bromo-3-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
Other name (2):
1,1′-[(2-Bromo-1,3-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)
1,1′-(2-Bromo-m-phenylenebismethylene)bis(1,4,8,11-tetraazacyclotetradecane)
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