(-)-Cassine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H35NO2
IUPAC Name 12-[(2s,5r,6r)-5-hydroxy-6-methyl-2-piperidyl]dodecan-2-one
Molecular Mass 297.476 g·mol−1
Heat of Formation -656.8 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 426.31 Å 3
Surface Area 394.86 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 12-[(2s,5r,6r)-5-hydroxy-6-methyl-2-piperidinyl]dodecan-2-one
  • 12-[(2s,5r,6r)-5-hydroxy-6-methyl-2-piperidyl]dodecan-2-one
  • 12-[(2s,5r,6r)-5-hydroxy-6-methyl-piperidin-2-yl]dodecan-2-one
  • 12-[(2s,5r,6r)-5-hydroxy-6-methylpiperidin-2-yl]dodecan-2-one
  • 2-dodecanone, 12-[(2s,5r,6r)-5-hydroxy-6-methyl-2-piperidinyl]-
  • cassine
CAS Number(s)
  • 5227-24-7
InChIKey QPRMGHKASRLPJP-FGTMMUONSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N