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

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Properties Simple | Detailed

Formula C19H27IN2O4
IUPAC Name (1-butyl-4-piperidyl)methyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular Mass 474.333 g·mol−1
Heat of Formation -577.3 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 463.41 Å 3
Surface Area 416.56 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1-butylpiperidin-4-yl)methyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate
  • 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester
  • 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester
  • sb207710
InChIKey FCKKCDRMGKXQDK-UHFFFAOYSA-N
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