{1-[3-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)Propyl]-4-Piperidinyl}Methyl 4-Amino-5-Chloro-2-Methoxybenzoate

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Properties Simple | Detailed

Formula C25H31ClN2O5
IUPAC Name [1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-piperidyl]methyl 4-amino-5-chloro-2-methoxy-benzoate
Molecular Mass 474.977 g·mol−1
Heat of Formation -727.6 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 553.29 Å 3
Surface Area 492.43 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-2-methoxy-benzoic acid [1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-piperidyl]methyl ester
  • 4-amino-5-chloro-2-methoxybenzoic acid [1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-piperidinyl]methyl ester
  • [1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-piperidyl]methyl 4-amino-5-chloro-2-methoxy-benzoate
  • [1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxy-benzoate
  • [1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
  • pdsp1_001584
  • pdsp2_001568
InChIKey AJVNZBQUOHOEQO-UHFFFAOYSA-N
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