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Home> Encyclopedia > Hot Product Listed B   > Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone,2,7-bis[3-(cyclododecylamino)propyl]-
6511-14-4 structure

Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone,2,7-bis[3-(cyclododecylamino)propyl]-

Iupac Name:N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CAS No.:6511-14-4
Molecular Weight:367.423
Molecular Formula:C19H17N3O3S (isomer)
Names and Identifiers
Synonyms

1,4,5,8-Naphthalenetetracarboxylic1,8:4,5-diimide, N,N'-bis[3-(cyclododecylamino)propyl]- (7CI,8CI) AKOS024371480 DTXSID30411645 MCULE-9638059877 n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]quinoline-8-sulfonamide ST51008127 ZINC5897584

Inchi
InChI=1S/C19H17N3O3S/c23-15-6-7-17-16(11-15)14(12-21-17)8-10-22-26(24,25)18-5-1-3-13-4-2-9-20-19(13)18/h1-7,9,11-12,21-23H,8,10H2
InChkey
BFJXVCUOGAZFTO-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)S(=O)(=O)NCCC3=CNC4=C3C=C(C=C4)O)N=CC=C2
Properties
Density
1.438
Boiling Point
681.2°Cat760mmHg
Refractive Index
1.726
Flash Point
365.8°C
Computational chemical data
  • Molecular Weight:367.423g/mol
  • Molecular Formula:C19H17N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:367.099
  • Monoisotopic Mass:367.099
  • Complexity:579
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/gAAHgQQSAAADAzB3gQ8x/LJkgKg AzRnRHDCgDAxIiAI2bw+bJgIJuLCkZOEcAhk0BHI2Aew0PIOgEABgAACAQAAgAMAAAQCAAAAAAAA AA==
 
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