[(3-Acetamido-4-Nitrosophenyl)Imino]Di-2,1-Ethanediyl Dimethanesulfonate

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Properties Simple | Detailed

Formula C14H21N3O8S2
IUPAC Name 2-[3-acetamido-n-(2-methylsulfonyloxyethyl)-4-nitroso-anilino]ethyl methanesulfonate
Molecular Mass 423.462 g·mol−1
Heat of Formation -1150.0 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 449.05 Å 3
Surface Area 355.84 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3-acetamido-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
  • 2-[(3-acetamido-4-nitrosophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
  • acetamide, n-[5-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-nitrosophenyl]-
  • acetanilide, 5'-[bis(2-hydroxyethyl)amino]-2'-nitroso-, dimethanesulfonate (ester)
  • methanesulfonic acid 2-[(3-acetamido-4-nitroso-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl ester
  • methanesulfonic acid 2-[(3-acetamido-4-nitrosophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl ester
CAS Number(s)
  • 22964-42-7
InChIKey CYOBZKAYXWZEHU-UHFFFAOYSA-N
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