3-(Dimethylamino)Propyl Naphtho(2,1-B)Thiophene-4-Carboxylate

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Properties Simple | Detailed

Formula C18H19NO2S
IUPAC Name 3-(dimethylamino)propyl benzo[e]benzothiophene-4-carboxylate
Molecular Mass 313.414 g·mol−1
Heat of Formation -128.9 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 374.53 Å 3
Surface Area 341.18 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,3-dimethylamino)propyl naphtho(2,1-b)thiophene-4-carboxylate
  • 3-dimethylaminopropyl benzo[e][1]benzothiole-4-carboxylate
  • 3-dimethylaminopropyl benzo[e]benzothiophene-4-carboxylate
  • 4-benzo[e]benzothiophenecarboxylic acid 3-dimethylaminopropyl ester
  • benzo[e]benzothiophene-4-carboxylic acid 3-dimethylaminopropyl ester
  • dap-natc
  • naphtho(2,1-b)thiophene-4-carboxylic acid, 3-(dimethylamino)propyl ester
CAS Number(s)
  • 113296-07-4
InChIKey AISZEDRVQXYBTK-UHFFFAOYSA-N
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