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

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Properties Simple | Detailed

Formula C19H18Cl2N2O4
IUPAC Name 3-[bis(2-chloroethylamino)methyl]-1,8-dihydroxy-anthracene-9,10-dione
Molecular Mass 409.263 g·mol−1
Heat of Formation -588.6 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 439.92 Å 3
Surface Area 371.63 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[bis(2-chloroethylamino)methyl]-1,8-dihydroxy-9,10-anthraquinone
  • 3-[bis(2-chloroethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
InChIKey MKWKDPBGQQMXRM-UHFFFAOYSA-N
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Elements H C N O Cl