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Substance Name: 2-Ethyl-2-nitro-1,3-propanediol
RN: 597-09-1
UNII: 5243OT5I3L
InChIKey: YADISKICBOYXFS-UHFFFAOYSA-N

Molecular Formula

  • C5-H11-N-O4

Molecular Weight

  • 149.145
 
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Names and Synonyms

Name of Substance

  • 2-Ethyl-2-nitro-1,3-propanediol

Synonyms

  • 2-Ethyl-2-nitro-1,3-propanediol
  • 2-Ethyl-2-nitropropanediol
  • 2-Nitro-2-ethyl-1,3-propanediol
  • 4-01-00-02550 (Beilstein Handbook Reference)
  • AI3-02257
  • BRN 1705448
  • EINECS 209-893-3
  • NSC 2024
  • UNII-5243OT5I3L

Systematic Names

  • 1,3-Propanediol, 2-ethyl-2-nitro-
  • 2-Ethyl-2-nitropropane-1,3-diol

Superlist Name

  • 2-Nitro-2-ethyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 597-09-1

FDA UNII

  • 5243OT5I3L

System Generated Number

  • 0000597091

Structure Descriptors

InChI

1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3

InChIKey

YADISKICBOYXFS-UHFFFAOYSA-N

Smiles

C([N+](=O)[O-])(CC)(CO)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
log P (octanol-water) -0.710 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 8.65E-05 mm Hg 25 EST
Henry's Law Constant 1.75E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-12 cm3/molecule-sec 25 EST

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