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Substance Name: Nitroisobutametriol trinitrate
RN: 20820-44-4
InChIKey: FPYYRAGXJPZCBM-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-N4-O11

Molecular Weight

  • 287.1163
 
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Names and Synonyms

Results Name

  • Nitroisobutametriol trinitrate

Synonyms

  • EINECS 244-060-8
  • NIBTN
  • Nitroisobutametriol trinitrate
  • Nitroisobutylglycerol trinitrate

Systematic Names

  • 1,3-Propanediol, 2-nitro-2-((nitrooxy)methyl)-, 1,3-dinitrate
  • 1,3-Propanediol, 2-nitro-2-((nitrooxy)methyl)-, dinitrate (ester)
  • 2-Nitro-2-((nitrooxy)methyl)propane-1,3-diyl dinitrate

Superlist Names

  • Nitro isobutane triol trinitrate
  • Nitro isobutane triol trinitrate [Forbidden]
  • Trimethylol nitromethane trinitrate
  • Trimethylol nitromethane trinitrate [Forbidden]

Registry Numbers

CAS Registry Number

  • 20820-44-4

System Generated Number

  • 0020820444

Structure Descriptors

InChI

1S/C4H7N4O11/c9-5(10)4(1-17-6(11)12,2-18-7(13)14)3-19-8(15)16/h1-3H2,(H,11,12)/q+1

InChIKey

FPYYRAGXJPZCBM-UHFFFAOYSA-N

Smiles

[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)O)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.100 (none)   EST
Water Solubility 816 mg/L 19 EXP
Atmospheric OH Rate Constant 1.23E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.