4-Bromo-N-[(1R,2R)-2-(Methylamino)Cyclohexyl]Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19BrN2O
IUPAC Name 4-bromo-n-[(1r,2r)-2-(methylamino)cyclohexyl]benzamide
Molecular Mass 311.217 g·mol−1
Heat of Formation -107.8 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 329.88 Å 3
Surface Area 297.44 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-bromo-n-[(1r,2r)-2-methylaminocyclohexyl]benzamide
  • benzamide, 4-bromo-n-(2-(methylamino)cyclohexyl)-, trans-
  • n-demethylbromadoline
CAS Number(s)
  • 96817-70-8
InChIKey TZDKHLXPROFMEH-CHWSQXEVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N