Bis(2-Chloroethyl)Methylamine Oxide

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Properties Simple | Detailed

Formula C5H11Cl2NO
IUPAC Name 2-chloro-n-(2-chloroethyl)-n-methyl-ethanamine oxide
Molecular Mass 172.053 g·mol−1
Heat of Formation -120.0 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 197.43 Å 3
Surface Area 191.62 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-dichloro-n-methyldiethylamine-n-oxide
  • 2-chloro-n-(2-chloroethyl)-n-methyl-ethanamine oxide
  • 2-chloro-n-(2-chloroethyl)-n-methylethanamine oxide
  • 2-chloro-n-(2-chloroethyl)-n-methylethanamine-n-oxide
  • diethylamine, 2,2'-dichloro-n-methyl-, n-oxide
  • diethylamine, 2,2'-dichloro-n-methyl-, oxide
  • hn2 oxide mustard
  • methyl-bis(beta-chloroethyl)amine oxide
  • methylbis(beta-chloroethyl)amine n-oxide
  • nitrogen mustard amine oxide
  • oxy-nh2
CAS Number(s)
  • 126-85-2
InChIKey AFLXUQUGROGEFA-UHFFFAOYSA-N
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