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

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Properties Simple | Detailed

Formula C19H21Cl2NO
IUPAC Name 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one
Molecular Mass 350.282 g·mol−1
Heat of Formation -78.5 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 422.52 Å 3
Surface Area 383.79 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,1'-biphenyl)-4-yl-3-(bis(2-chloroethyl)amino)-1-propanone
  • 1-propanone, 1-(1,1'-biphenyl)-4-yl-3-(bis(2-chloroethyl)amino)-
  • 4-(3'-di(2-chloroethyl)aminopropionyl)biphenyl
  • toxin 5
CAS Number(s)
  • 142058-12-6
InChIKey IXHADCPJRQNDGG-UHFFFAOYSA-N
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Elements H C N O Cl