2-[Bis(2-Chloroethyl)Amino]Ethanesulfonic Acid

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Properties Simple | Detailed

Formula C6H13Cl2NO3S
IUPAC Name 2-[bis(2-chloroethyl)amino]ethanesulfonic acid
Molecular Mass 250.143 g·mol−1
Heat of Formation -668.3 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 270.87 Å 3
Surface Area 251.31 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(bis(2-chloroethyl)amino)ethanesulfonic acid
  • ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-
  • taumustine
  • taurine, n,n-bis(2-chloroethyl)-
CAS Number(s)
  • 98277-87-3
InChIKey HJKWURIJRYSWSR-UHFFFAOYSA-N
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