2-[(2-Chloroethyl)(Methyl)Amino]Ethyl Acetate

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Properties Simple | Detailed

Formula C7H14ClNO2
IUPAC Name 2-[2-chloroethyl(methyl)amino]ethyl acetate
Molecular Mass 179.645 g·mol−1
Heat of Formation -461.3 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 222.53 Å 3
Surface Area 219.97 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2-chloroethyl)methylamino)ethanol acetate
  • 2-(2-chloroethyl-methyl-amino)ethyl acetate
  • 2-(2-chloroethyl-methyl-amino)ethyl ethanoate
  • 2-(2-chloroethyl-methylamino)ethyl acetate
  • 2-chloroethylmethylaminoethyl acetate
  • acetic acid 2-(2-chloroethyl-methyl-amino)ethyl ester
  • acetic acid 2-(2-chloroethyl-methylamino)ethyl ester
  • acetylcholine mustard
  • diethylamine, 2-acetoxy-2'-chloro-n-methyl-
  • ethanol, 2-((2-chloroethyl)methylamino)-, acetate
  • ethanol, 2-((2-chloroethyl)methylamino)-, acetate (ester)
  • methyl-beta-acetoxyethyl-beta-chloroethylamine
  • methylamine, n-acetoxyethyl-n-chloroethyl-
  • tl 1428
CAS Number(s)
  • 36375-30-1
InChIKey XZICNJLDEMDMQZ-UHFFFAOYSA-N
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Elements H C N O Cl