3-{2-[Bis(2-Chloroethyl)Amino]Ethyl}-1,3-Diazaspiro[4.4]Nonane-2,4-Dione

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Formula C13H21Cl2N3O2
IUPAC Name 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
Molecular Mass 322.231 g·mol−1
Heat of Formation -491.9 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 378.78 Å 3
Surface Area 332.87 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-diazaspiro(4.4)nonane-2,4-dione, 3-(2-(bis(2-chloroethyl)amino)ethyl)-
  • 1,3-diazaspiro(4.4)nonane-2,4-dione, 3-(2-(bis(2-chloromethyl)amino)ethyl)-
  • 3-(2-(bis(2'-chloroethyl)amino)ethyl)-5,5-tetramethylenehydantoin
  • 3-(2-(bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro(4.4)nonane-2,4-dione
  • 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-quinone
  • cypenhymustine
CAS Number(s)
  • 150380-35-1
InChIKey SSPKQVAQJYNRQQ-UHFFFAOYSA-N
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Elements H C N O Cl