3-{[Bis(2-Chloroethyl)Amino]Methyl}-1,8-Dihydroxy-9,10-Anthraquinone

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Properties Simple | Detailed

Formula C19H17Cl2NO4
IUPAC Name 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxy-anthracene-9,10-dione
Molecular Mass 394.249 g·mol−1
Heat of Formation -557.2 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 430.97 Å 3
Surface Area 371.66 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxy-9,10-anthraquinone
  • 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione
  • 3-bis((2-chloroethyl)amino)methyl-1,8-dihydroxy-9,10-anthraquinone
  • 9,10-anthracenedione, 3-((bis(2-chloroethyl)amino)methyl)-1,8-dihydroxy-
  • sk-31662
CAS Number(s)
  • 111822-93-6
InChIKey ZGEUYISZDDGVTQ-UHFFFAOYSA-N
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Elements H C N O Cl