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Substance Name: 2-Propenamide, N-butyl-3-(5-nitro-2-furanyl)-
RN: 91182-09-1
InChIKey: MFJYRLRBBMJWDW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H14-N2-O4

Molecular Weight

  • 238.242
 
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Names and Synonyms

Synonyms

  • 4-18-00-04158 (Beilstein Handbook Reference)
  • BRN 0019014
  • CCRIS 5647
  • N-Butyl-3-(5-nitro-2-furanyl)-2-propenamide
  • N-Butyl-5-nitro-2-furylacrylamide

Systematic Names

  • 2-Propenamide, N-butyl-3-(5-nitro-2-furanyl)-
  • N-Butyl-5-nitro-2-furanacrylamide

Registry Numbers

CAS Registry Number

  • 91182-09-1

System Generated Number

  • 0091182091

Structure Descriptors

InChI

1S/C11H14N2O4/c1-2-3-8-12-10(14)6-4-9-5-7-11(17-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)

InChIKey

MFJYRLRBBMJWDW-UHFFFAOYSA-N

Smiles

C(=O)(NCCCC)\C=C/c1oc([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.36 (none)   EXP
Water Solubility 108 mg/L 25 EST
Vapor Pressure 2.39E-07 mm Hg 25 EST
Henry's Law Constant 5.34E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.74E-11 cm3/molecule-sec 25 EST

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