1,1'-{5-[Bis(2-Chloroethyl)Amino]-1,3-Phenylene}Diurea

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Properties Simple | Detailed

Formula C12H17Cl2N5O2
IUPAC Name [3-[bis(2-chloroethyl)amino]-5-ureido-phenyl]urea
Molecular Mass 334.202 g·mol−1
Heat of Formation -400.7 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 368.45 Å 3
Surface Area 334.23 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • [3-(aminocarbonylamino)-5-[bis(2-chloroethyl)amino]phenyl]urea
  • [3-[bis(2-chloroethyl)amino]-5-ureidophenyl]urea
  • n,n''-(5-(bis(2-chloroethyl)amino)-1,3-phenylene)bis-urea
  • urea, n,n''-(5-(bis(2-chloroethyl)amino)-1,3-phenylene)bis-
  • urea, n,n''-[5-[bis(2-chloroethyl)amino]-1,3-phenylene]bis-
CAS Number(s)
  • 58200-04-7
InChIKey FKEKQWMSUGGZTG-UHFFFAOYSA-N
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