N-[(1R,2R)-2-Aminocyclohexyl]-4-Bromobenzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H17BrN2O
IUPAC Name n-[(1r,2r)-2-aminocyclohexyl]-4-bromo-benzamide
Molecular Mass 297.191 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 309.26 Å 3
Surface Area 278.57 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • benzamide, n-(2-aminocyclohexyl)-4-bromo-, trans-,
  • n-[(1r,2r)-2-aminocyclohexyl]-4-bromo-benzamide
  • n-didemethylbromadoline
CAS Number(s)
  • 96817-69-5
InChIKey FDTVTLRRTCOLPL-VXGBXAGGSA-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