2-(Dimethylamino)Ethyl 1-Benzyl-2,3-Dimethylindole-5-Carboxylate

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Properties Simple | Detailed

Formula C22H26N2O2
IUPAC Name 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethyl-indol-1-ium-5-carboxylate
Molecular Mass 350.454 g·mol−1
Heat of Formation -155.8 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 447.36 Å 3
Surface Area 394.44 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-2,3-dimethyl-indole-5-carboxylic acid 2-dimethylaminoethyl ester
  • 1-benzyl-2,3-dimethyl-1h-indole-5-carboxylic acid 2-dimethylamino-ethyl ester
  • 1h-indole-5-carboxylic acid, 2,3-dimethyl-1-(phenylmethyl)-, 2-(dimethylamino)ethyl ester
  • 2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxylic acid 2-dimethylaminoethyl ester
  • 2-dimethylaminoethyl 2,3-dimethyl-1-(phenylmethyl)indole-5-carboxylate
  • bas 01062721
  • cbdive_015610
  • indocate
  • k 281
  • oprea1_729550
  • oprea1_852893
CAS Number(s)
  • 31386-25-1
InChIKey YKWQHMLRAPIWDP-UHFFFAOYSA-N
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