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Substance Name: 1H-Imidazole-1-ethanol, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-5-nitro-
RN: 74550-86-0
InChIKey: BVVIKCLECBDUPE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H13-N3-O5

Molecular Weight

  • 303.273
 
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Names and Synonyms

Synonyms

  • 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
  • DA 3832

Systematic Name

  • 1H-Imidazole-1-ethanol, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 74550-86-0

System Generated Number

  • 0074550860

Structure Descriptors

InChI

1S/C14H13N3O5/c18-6-5-16-13(15-8-14(16)17(19)20)4-2-10-1-3-11-12(7-10)22-9-21-11/h1-4,7-8,18H,5-6,9H2

InChIKey

BVVIKCLECBDUPE-UHFFFAOYSA-N

Smiles

n1(c(ncc1[N+]([O-])=O)\C=C/c1cc2OCOc2cc1)CCO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 88.4 mg/L 25 EST
Vapor Pressure 1.47E-12 mm Hg 25 EST
Henry's Law Constant 4.10E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.43E-11 cm3/molecule-sec 25 EST

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