N-{2-(5-Amino-7-Bromo-4-Chloro-2H-Benzotriazol-2-Yl)-5-[(2-Cyanoethyl)(Ethyl)Amino]-4-Methoxyphenyl}Acetamide

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Properties Simple | Detailed

Formula C20H21BrClN7O2
IUPAC Name n-[2-(5-amino-7-bromo-4-chloro-benzotriazol-2-ium-2-yl)-5-[2-cyanoethyl(ethyl)amino]-4-methoxy-phenyl]acetamide
Molecular Mass 506.783 g·mol−1
Heat of Formation 193.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 521.06 Å 3
Surface Area 451.21 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-(acetylamino)-4-(n-(2-cyanoethyl)ethylamino)-5-methoxyphenyl)-5-amino-7-bromo-4-chloro-2h-benzotriazole
  • n-[2-(5-amino-7-bromo-4-chloro-2-benzotriazolyl)-5-(2-cyanoethyl-ethylamino)-4-methoxyphenyl]acetamide
  • n-[2-(5-amino-7-bromo-4-chloro-benzotriazol-2-yl)-5-(2-cyanoethyl-ethyl-amino)-4-methoxy-phenyl]ethanamide
  • pbta 2
  • pbta 2 (pollutant)
CAS Number(s)
  • 215245-16-2
InChIKey CVBXOARNTJWWLQ-UHFFFAOYSA-N
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Elements C Cl H O N Br