4-Diphenylacetoxy-1-(2-Chloroethyl)Piperidine

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Properties Simple | Detailed

Formula C21H24ClNO2
IUPAC Name [1-(2-chloroethyl)-4-piperidyl] 2,2-diphenylacetate
Molecular Mass 357.874 g·mol−1
Heat of Formation -245.5 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 436.72 Å 3
Surface Area 384.98 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-di(phenyl)acetic acid [1-(2-chloroethyl)-4-piperidinyl] ester
  • 2,2-di(phenyl)acetic acid [1-(2-chloroethyl)-4-piperidyl] ester
  • 4-damp mustard
  • [1-(2-chloroethyl)-4-piperidyl] 2,2-di(phenyl)acetate
  • [1-(2-chloroethyl)piperidin-4-yl] 2,2-di(phenyl)acetate
  • [1-(2-chloroethyl)piperidin-4-yl] 2,2-di(phenyl)ethanoate
  • benzeneacetic acid, alpha-phenyl-, 1-(2-chloroethyl)-4-piperidinyl ester
  • n-(2-chloroethyl)-4-piperidinyl diphenylacetate
CAS Number(s)
  • 130817-71-9
InChIKey MYNBDRGQYBNWEN-UHFFFAOYSA-N
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