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Home> Hot Product Listed 2   > 2,4,11,13-Tetraazatetradecanediimidamide,N,N''-bis(2-ethylhexyl)-3,12-diimino-
1251156-08-7 structure

2,4,11,13-Tetraazatetradecanediimidamide,N,N''-bis(2-ethylhexyl)-3,12-diimino-

Iupac Name:[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
CAS No.:1251156-08-7
Molecular Weight:455.504
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

1,6-Bis(2-ethylhexylbiguanido)hexane Alexidine Biguanide,1,1'-hexamethylenebis[5-(2-ethylhexyl)- (8CI) Bisguadine Bisguanidine Compound 904 QR 711 Sterwin 904 Win21904

Inchi
InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
InChkey
LNFBAYSBVQBKFR-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N
Properties
Density
1.212
Flash Point
214.3°C
Computational chemical data
  • Molecular Weight:455.504g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:455.132
  • Monoisotopic Mass:455.132
  • Complexity:776
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:111A^2
  • Heavy Atom Count:32
  • 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: AAADceB7OQBAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAAB0AAAHwQQAAAADATh2g6/t5NIFAqo AjN3dHDCiCk1KjAI2Dk+bNiOJvLktZuHOSjm1hPY6aeYyPCOsAACgAAYAABgAAUAADAAAAAAAAAA AA==
 
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