(1R,2S)-1-(3-Chlorophenyl)-2-[(2-Methyl-2-Propanyl)Amino]-1-Propanol

Molecule SVG Image

Properties Simple | Detailed

Formula C13H20ClNO
IUPAC Name (1r,2s)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
Molecular Mass 241.757 g·mol−1
Heat of Formation -253.6 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 311.08 Å 3
Surface Area 262.16 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • a
  • b
  • c
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • s
  • t
  • u
  • y
InChIKey NDPTTXIBLSWNSF-CABZTGNLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl