5-({4-[2-(1-Oxido-1-Piperidinyl)Ethyl]Phenyl}Amino)-5-Oxopentanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C18H26N2O4
IUPAC Name 5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]-5-oxo-pentanoic acid
Molecular Mass 334.410 g·mol−1
Heat of Formation -577.4 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 415.6 Å 3
Surface Area 377.82 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[4-[2-(1-oxido-1-piperidin-1-iumyl)ethyl]phenyl]amino]-5-oxopentanoic acid
  • 5-[[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxo-pentanoic acid
  • 5-keto-5-[[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]phenyl]amino]valeric acid
  • n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide
  • nox
InChIKey RKJXWOJUCCBWSC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N