1,4-Diazepane

Molecule SVG Image

Properties Simple | Detailed

Formula C5H12N2
IUPAC Name 1,4-diazepane
Molecular Mass 100.162 g·mol−1
Heat of Formation 26.7 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 138.73 Å 3
Surface Area 141.52 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 6.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-diazacycloheptane
  • 1h-1,4-diazepine, hexahydro-
  • 2,3,4,5,6,7-hexahydro-1h-1,4-diazepine
  • hexahydro-1,4-diazepine
  • homopiperazine
  • perhydro-1,4-diazepine
  • trimethyleneethylenediamine
CAS Number(s)
  • 505-66-8
InChIKey FQUYSHZXSKYCSY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N