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Substance Name: RB 6110
RN: 104958-85-2
InChIKey: CGPOHMMXMBLSOS-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N5-O4

Molecular Weight

  • 215.168
 
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Names and Synonyms

Name of Substance

  • RB 6110

Synonyms

  • N-(2-Hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
  • RB-6110

Systematic Name

  • 1H-1,2,4-Triazole-1-acetamide, N-(2-hydroxyethyl)-3-nitro-

Registry Numbers

CAS Registry Number

  • 104958-85-2

System Generated Number

  • 0104958852

Structure Descriptors

InChI

1S/C6H9N5O4/c12-2-1-7-5(13)3-10-4-8-6(9-10)11(14)15/h4,12H,1-3H2,(H,7,13)

InChIKey

CGPOHMMXMBLSOS-UHFFFAOYSA-N

Smiles

OCCNC(=O)Cn1nc([N+]([O-])=O)nc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.59E+00 (none)   EXP
Water Solubility 1.66E+04 mg/L 25 EST
Vapor Pressure 5.95E-10 mm Hg 25 EST
Henry's Law Constant 2.08E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.51E-11 cm3/molecule-sec 25 EST

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