O-[2-(Diethylamino)Ethyl] 4-Amino-2-(Hexyloxy)Benzenecarbothioate

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Properties Simple | Detailed

Formula C19H32N2O2S
IUPAC Name o-[2-(diethylamino)ethyl] 4-amino-2-hexoxy-benzenecarbothioate
Molecular Mass 352.535 g·mol−1
Heat of Formation -340.9 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 468.67 Å 3
Surface Area 378.48 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-2-hexoxy-thiobenzoic acid o-(2-diethylaminoethyl) ester
  • 4-amino-2-hexoxybenzenecarbothioic acid o-(2-diethylaminoethyl) ester
  • benzenecarbothioic acid, 4-amino-2-(hexyloxy)-, o-(2-(diethylamino)ethyl) ester
  • hexothiocaine
  • o-(2-diethylaminoethyl) 4-amino-2-hexoxy-benzenecarbothioate
  • o-(2-diethylaminoethyl) 4-amino-2-hexoxybenzenecarbothioate
CAS Number(s)
  • 13957-60-3
InChIKey WGVIBWRLLMUUAJ-UHFFFAOYSA-N
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