2,2-Bis(Hydroxymethyl)-1,3-Propanediyl Dinitrate

Molecule SVG Image

Properties Simple | Detailed

Formula C5H10N2O8
IUPAC Name [2,2-bis(hydroxymethyl)-3-nitrooxy-propyl] nitrate
Molecular Mass 226.141 g·mol−1
Heat of Formation -644.7 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 234.02 Å 3
Surface Area 221.54 Å 2
HOMO Energy -11.05 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dinitrato-2,2-bis(hydroxymethyl)-propane
  • 2,2-bis(hydroxymethyl)propane, 1,3-diyl dinitrate
  • [2,2-bis(hydroxymethyl)-3-nitrooxypropyl] nitrate
  • nitric acid (2,2-dimethylol-3-nitrooxy-propyl) ester
  • nitric acid [2,2-bis(hydroxymethyl)-3-nitrooxypropyl] ester
  • pe2n cpd
  • pedn
  • pentaerythritol dinitrate
  • pentaerythritol, dinitrate
  • pet, dinitrate
CAS Number(s)
  • 1607-01-8
InChIKey LHSHCLPXMPQXCS-UHFFFAOYSA-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