(1R,4R)-4-Benzyl-4-[3-(Dimethylamino)Propoxy]Cycloheptanol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H31NO2
IUPAC Name (1r,4r)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptanol
Molecular Mass 305.455 g·mol−1
Heat of Formation -403.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 410.66 Å 3
Surface Area 332.06 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r)-4-(3-dimethylaminopropoxy)-4-(phenylmethyl)-1-cycloheptanol
  • (1r,4r)-4-(3-dimethylaminopropoxy)-4-(phenylmethyl)cycloheptan-1-ol
  • (1r,4r)-4-(benzyl)-4-(3-dimethylaminopropoxy)cycloheptan-1-ol
  • 1-benzyl-1-(3-n,n-dimethylaminopropoxy)-4-hydroxycycloheptane
  • cycloheptanol, 4-(3-(dimethylamino)propoxy)-4-(phenylmethyl)-, cis-
  • hydroxybencyclane
CAS Number(s)
  • 71491-68-4
InChIKey UOGZUHVCOKDWIM-RTBURBONSA-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