6-Methyl-5-[Bis(2-Chloroethyl)Amino]Uracil

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Properties Simple | Detailed

Formula C9H13Cl2N3O2
IUPAC Name 5-[bis(2-chloroethyl)amino]-6-methyl-1h-pyrimidine-2,4-dione
Molecular Mass 266.124 g·mol−1
Heat of Formation -459.2 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 291.6 Å 3
Surface Area 256.82 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(bis(2-chloroethyl)amino)-6-methyl-
  • 2,4(1h,3h)-pyrimidinedione, 5-[bis(2-chloroethyl)amino]-6-methyl-
  • 2,6-dihydroxy-4-methyl-5-bis(2-chloroethyl)aminopyrimidine
  • 4-methyl-5-(bis(beta-chloroethyl)amino)uracil
  • 4-methyl-5-[bis(.beta.-chloroethyl)amino]uracil
  • 5-(bis(2-chloroethyl)amino)-6-methyluracil
  • 5-[bis(2-chloroethyl)amino]-6-methyl-uracil
  • 5-[bis(2-chloroethyl)amino]-6-methyluracil
  • 6-methyl-5-(bis(2-chloroethyl)amino)uracil
  • chloroethylaminouracil
  • dopan
  • dopane
  • ent 50698
  • uracil, 5-(bis(2-chloroethyl)amino)-6-methyl- (van) (8ci)
  • uracil, 5-(bis-(2-chloroethyl)amino)-6-methyl-
  • uracil, 5-[bis(2-chloroethyl)amino]-6-methyl-
CAS Number(s)
  • 520-09-2
InChIKey SDTHIDMOBRXVOQ-UHFFFAOYSA-N
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