3,5-Diamino-N-{2-[(2-{[3-Bromo-2-Hydroxy-5-(2-Methyl-2-Propanyl)Benzyl]Amino}Ethyl)(Methyl)Amino]Ethyl}-6-Chloro-2-Pyrazinecarboxamide

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Properties Simple | Detailed

Formula C21H31BrClN7O2
IUPAC Name 3,5-diamino-n-[2-[2-[(3-bromo-5-tert-butyl-2-hydroxy-phenyl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
Molecular Mass 528.874 g·mol−1
Heat of Formation -233.6 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 573.89 Å 3
Surface Area 507.19 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diamino-n-[2-[2-[(3-bromo-5-tert-butyl-2-hydroxy-benzyl)amino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazinamide
  • 3,5-diamino-n-[2-[2-[(3-bromo-5-tert-butyl-2-hydroxy-phenyl)methylamino]ethyl-methyl-amino]ethyl]-6-chloro-pyrazine-2-carboxamide
  • 3,5-diamino-n-[2-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethyl-methylamino]ethyl]-6-chloro-2-pyrazinecarboxamide
  • 3,5-diamino-n-[2-[2-[(3-bromo-5-tert-butyl-2-hydroxyphenyl)methylamino]ethyl-methylamino]ethyl]-6-chloropyrazine-2-carboxamide
  • pyrazinecarboxamide, 3,5-diamino-n-(2-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-
  • pyrazinecarboxamide, n-(2-((2-(((3-bromo-5-(1,1-dimethylethyl)-2-hydroxyphenyl)methyl)amino)ethyl)methylamino)ethyl)-6-chloro-3,5-diamino-
CAS Number(s)
  • 119646-52-5
InChIKey BOOGSGUHOOWQBH-UHFFFAOYSA-N
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Elements C Cl H O N Br