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Substance Name: 2-Propenamide, N-(1,1-dimethylethyl)-3-(5-nitro-2-furanyl)-
RN: 39965-42-9
InChIKey: XFPFTMFVETYXIL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H14-N2-O4

Molecular Weight

  • 238.242
 
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Names and Synonyms

Synonyms

  • 5-18-06-00318 (Beilstein Handbook Reference)
  • BRN 1316412
  • CCRIS 5648
  • N-(1,1-Dimethylethyl)-3-(5-nitro-2-furanyl)-2-propenamide
  • N-(t-Butyl)-5-nitro-2-furylacrylamide

Systematic Names

  • 2-Propenamide, N-(1,1-dimethylethyl)-3-(5-nitro-2-furanyl)-
  • N-(1,1-Dimethylethyl)-5-nitro-2-furanacrylamide

Registry Numbers

CAS Registry Number

  • 39965-42-9

System Generated Number

  • 0039965429

Structure Descriptors

InChI

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

InChIKey

XFPFTMFVETYXIL-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.33 (none)   EXP
Water Solubility 115 mg/L 25 EST
Vapor Pressure 5.26E-07 mm Hg 25 EST
Henry's Law Constant 5.34E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.05E-11 cm3/molecule-sec 25 EST

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