(1-Butyl-4-Piperidinyl)Methyl 8-Amino-7-Chloro-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylate

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Properties Simple | Detailed

Formula C19H27ClN2O4
IUPAC Name (1-butyl-4-piperidyl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular Mass 382.882 g·mol−1
Heat of Formation -689.9 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 446.02 Å 3
Surface Area 404.96 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (1-butyl-4-piperidyl)methyl 5-amino-4-chloro-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-2-carboxylate
  • (1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
  • 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester
  • 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester
  • pdsp1_001682
  • pdsp2_001665
  • sb-204070
  • sb204070
CAS Number(s)
  • 148702-58-3
InChIKey AOOSJYIINXVNHV-UHFFFAOYSA-N
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Elements H C N O Cl