Ethyl [(1S,4R)-4-Allyl-8-Ethyl-2,3,4,9-Tetrahydro-1H-Carbazol-1-Yl]Acetate

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Properties Simple | Detailed

Formula C21H27NO2
IUPAC Name ethyl 2-[(1s,4r)-4-allyl-8-ethyl-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetate
Molecular Mass 325.445 g·mol−1
Heat of Formation -309.1 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 425.45 Å 3
Surface Area 368.93 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-carbazole-1-acetic acid, 1,8-diethyl-2,3,4,9-tetrahydro-4-(2-propenyl)-, cis-
  • 2-[(1s,4r)-4-allyl-8-ethyl-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid ethyl ester
  • 4-(2-propenyl)-1,8-diethyl-2,3,4,9-tetrahydro-1h-carbazoleacetic acid
  • ay-30,068
  • ethyl 2-[(1s,4r)-8-ethyl-4-prop-2-enyl-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetate
CAS Number(s)
  • 106464-24-8
InChIKey CCBNJIRTSXFNHY-HOTGVXAUSA-N
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