3-(1-Piperidinyl)Propyl 4-Amino-5-Chloro-2-Methoxybenzoate

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Properties Simple | Detailed

Formula C16H23ClN2O3
IUPAC Name 3-(1-piperidyl)propyl 4-amino-5-chloro-2-methoxy-benzoate
Molecular Mass 326.818 g·mol−1
Heat of Formation -512.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 388.14 Å 3
Surface Area 354.96 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 3-piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxy-benzoate
  • 3-piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate
  • 4-amino-5-chloro-2-methoxy-benzoic acid 3-piperidinopropyl ester
  • 4-amino-5-chloro-2-methoxybenzoic acid 3-(1-piperidyl)propyl ester
  • biomol-nt_000148
  • bpbio1_000529
  • tocris-0728
InChIKey RLSGBCUXLRMTPF-UHFFFAOYSA-N
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Elements H C N O Cl