4-(Dimethylamino)-1-Naphthyl Isothiocyanate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12N2S
IUPAC Name 4-isothiocyanato-n,n-dimethyl-naphthalen-1-amine
Molecular Mass 228.313 g·mol−1
Heat of Formation 342.7 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 276.07 Å 3
Surface Area 259.07 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (4-isothiocyanato-1-naphthyl)-dimethyl-amine
  • 1-naphthalenamine, 4-isothiocyanato-n,n-dimethyl-
  • 4-isothiocyanato-n,n-dimethyl-1-naphthalenamine
  • 4-isothiocyanato-n,n-dimethyl-naphthalen-1-amine
  • 4-isothiocyanato-n,n-dimethylnaphthalen-1-amine
  • 4-n,n-dimethylamino-1-naphthylisothiocyanate
  • ac 20996
CAS Number(s)
  • 29711-79-3
InChIKey SMZHGTXTWIAKGS-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N