2-(Hydroxymethyl)-2-Nitropropan-1,3-Diol

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Properties Simple | Detailed

Formula C4H9NO5
IUPAC Name 2-(hydroxymethyl)-2-nitro-propane-1,3-diol
Molecular Mass 151.118 g·mol−1
Heat of Formation -612.1 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 165.85 Å 3
Surface Area 159.55 Å 2
HOMO Energy -10.98 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1,1-tris(hydroxymethyl)nitromethane
  • 1,3-propanediol, 2-(hydroxymethyl)-2-nitro-
  • 2-(dihydroxyamino)-2-(hydroxymethyl)propane-1,3-diol
  • 2-(dihydroxyamino)-2-methylol-propane-1,3-diol
  • 2-(hydroxymethyl)-2 nitro-1,3-propanediol
  • 2-(hydroxymethyl)-2-nitro-1,3-propanediol
  • 2-(hydroxymethyl)-2-nitropropane-1,3-diol
  • 2-(hydroxymethyl)-2-nitropropanediol
  • 2-hydroxymethyl-2-nitro-1,3-propanediol
  • 2-hydroxymethyl-2-nitropropane-1,3-diol
  • 2-methylol-2-nitro-propane-1,3-diol
  • 2-nitro-2-(hydroxymethyl)-1,3-propanediol
  • caswell no. 495
  • cimcool wafers
  • epa pesticide chemical code 083902
  • isobutylglycerol, nitro-
  • methane, trimethylolnitro-
  • nitroisobutylglycerol
  • nitromethylidynetrimethanol
  • nitrotris(hydroxymethyl)methane
  • trihydroxymethylnitromethane
  • trimethylolnitromethane
  • tris nitro
  • tris(hydroxymethyl)nitromethane
CAS Number(s)
  • 126-11-4
InChIKey OLQJQHSAWMFDJE-UHFFFAOYSA-N
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