4-(2-Aminoethyl)-N,N-Bis(2-Chloroethyl)Aniline

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Properties Simple | Detailed

Formula C12H18Cl2N2
IUPAC Name 4-(2-aminoethyl)-n,n-bis(2-chloroethyl)aniline
Molecular Mass 261.191 g·mol−1
Heat of Formation -38.1 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 316.9 Å 3
Surface Area 289.41 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(bis(2-chloroethyl)amino)benzeneethanamine
  • [4-(2-aminoethyl)phenyl]-bis(2-chloroethyl)amine
  • benzeneethanamine, 4-(bis(2-chloroethyl)amino)- (9ci)
  • cb 3034
  • p-(bis(2-chloroethyl)amino)phenethylamine
  • p-n,n-di-(2-chloroethyl)aminophenylethylamine
  • phenethylamine, p-(bis(2-chloroethyl)amino)-
CAS Number(s)
  • 58880-18-5
InChIKey PJKCNYLAFQAJDD-UHFFFAOYSA-N
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Elements H C N Cl