1-(4-Biphenylyl)-3-[Bis(2-Bromoethyl)Amino]-1-Propanone

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Properties Simple | Detailed

Formula C19H21Br2NO
IUPAC Name 3-[bis(2-bromoethyl)amino]-1-(4-phenylphenyl)propan-1-one
Molecular Mass 439.184 g·mol−1
Heat of Formation 21.2 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 435.12 Å 3
Surface Area 395.72 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,1'-biphenyl)-4-yl-3-(bis(2-bromoethyl)amino)-1-propanone
  • 1-propanone, 1-(1,1'-biphenyl)-4-yl-3-(bis(2-bromoethyl)amino)-
  • 3-(bis(2-bromoethyl)amino)-1-(4-phenylphenyl)propan-1-one
  • 4-(3'-di-(2-bromoethyl)aminopropionyl)biphenyl
  • toxin 6
CAS Number(s)
  • 142058-13-7
InChIKey JUMKLYDOIUWANQ-UHFFFAOYSA-N
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Elements H C O Br N