5-[Bis(2-Chloroethyl)Amino]-N-[2-(Dimethylamino)Ethyl]-2,4-Dinitrobenzamide

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Properties Simple | Detailed

Formula C15H21Cl2N5O5
IUPAC Name 5-[bis(2-chloroethyl)amino]-n-[2-(dimethylamino)ethyl]-2,4-dinitro-benzamide
Molecular Mass 422.264 g·mol−1
Heat of Formation -187.3 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 474.74 Å 3
Surface Area 406.78 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(bis(2-chloroethyl)amino)-n-(2-(dimethylamino)ethyl)-2,4-dinitrobenzamide
  • 5-[bis(2-chloroethyl)amino]-n-(2-dimethylaminoethyl)-2,4-dinitro-benzamide
  • 5-[bis(2-chloroethyl)amino]-n-(2-dimethylaminoethyl)-2,4-dinitrobenzamide
  • benzamide, 5-(bis(2-chloroethyl)amino)-n-(2-(dimethylamino)ethyl)-2,4-dinitro-
  • debcadb
  • n-((n,n-dimethylamino)ethyl)-5-(n,n-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
CAS Number(s)
  • 142439-63-2
InChIKey KHXWXJZPAQGKDJ-UHFFFAOYSA-N
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Elements H C N O Cl