(5R,7R)-N,N-Dimethyl-5-(4-Nitrophenoxy)-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-7-Amine

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Formula C19H22N2O3
IUPAC Name (5r,7r)-n,n-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-7-amine
Molecular Mass 326.390 g·mol−1
Heat of Formation -49.4 ± 16.7 kJ·mol−1
Dipole Moment 8.63 ± 1.08 D
Volume 394.69 Å 3
Surface Area 341.95 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,9r)-n,n-dimethyl-9-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-7-amine
  • 5h-benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-n,n-dimethyl-5-(4-nitrophenoxy)-, cis-
  • 6,7,8,9-tetrahydro-n,n-dimethyl-5-(nitrophenyl)oxy-5h-benzocycloheptene-7-amine fumarate
  • dimethyl-[(7r,9r)-9-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-7-yl]amine
CAS Number(s)
  • 72575-45-2
InChIKey ASNYPHGOFQAGQM-VQIMIIECSA-N
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