5-{[Bis(2-Chloroethyl)Amino]Methyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H13Cl2N3O2
IUPAC Name 5-[bis(2-chloroethyl)aminomethyl]-1h-pyrimidine-2,4-dione
Molecular Mass 266.124 g·mol−1
Heat of Formation -399.5 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 296.51 Å 3
Surface Area 266.85 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-((bis(2-chloroethyl)amino)methyl)-
  • 5-[bis(2-chloroethyl)aminomethyl]uracil
  • 5-bis(2-chloroethyl)aminomethyluracil
  • thyminealkamine
InChIKey DSNDKLPCPVXPMQ-UHFFFAOYSA-N
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Elements H C N O Cl