N,N-Bis(2-Chloroethyl)-1,4-Benzenediamine

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Properties Simple | Detailed

Formula C10H14Cl2N2
IUPAC Name n1,n1-bis(2-chloroethyl)benzene-1,4-diamine
Molecular Mass 233.138 g·mol−1
Heat of Formation -14.7 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 273.34 Å 3
Surface Area 251.42 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (4-aminophenyl)-bis(2-chloroethyl)amine
  • n,n-bis(2-chloroethyl)-p-phenylenediamine
  • n,n-bis(2-chloroethyl)benzene-1,4-diamine
  • n,n-di(2-chloroethyl)-p-phenylenediamine
  • n-(p-amino-phenyl)-2,2'-dichlorodiethylamine
  • n-(p-amino-phenyl)-nitrogen mustard
  • p-aminophenyl derivative of nitrogen mustard
  • p-phenylenediamine, n,n-bis(2-chloroethyl)-
  • phenylenediamine mustard
CAS Number(s)
  • 2067-58-5
InChIKey HWAVIYAFGOQVNJ-UHFFFAOYSA-N
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Elements H C N Cl