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Substance Name: 2-Propenamide, N-(2,2-dimethylpropyl)-3-(5-nitro-2-furanyl)-
RN: 97461-41-1
InChIKey: INTOXSDNRJZLRV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H16-N2-O4

Molecular Weight

  • 252.268
 
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Names and Synonyms

Synonyms

  • CCRIS 5651
  • N-(2,2-Dimethylpropyl)-3-(5-nitro-2-furanyl)-2-propenamide
  • N-(2,2-Dimethylpropyl)-5-nitro-2-furylacrylamide

Systematic Names

  • 2-Propenamide, N-(2,2-dimethylpropyl)-3-(5-nitro-2-furanyl)-
  • N-(2,2-Dimethylpropyl)-5-nitro-2-furanacrylamide

Registry Numbers

CAS Registry Number

  • 97461-41-1

System Generated Number

  • 0097461411

Structure Descriptors

InChI

1S/C12H16N2O4/c1-12(2,3)8-13-10(15)6-4-9-5-7-11(18-9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)

InChIKey

INTOXSDNRJZLRV-UHFFFAOYSA-N

Smiles

c1([N+]([O-])=O)oc(\C=C/C(=O)NCC(C)(C)C)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.61 (none)   EXP
Water Solubility 55.3 mg/L 25 EST
Vapor Pressure 2.39E-07 mm Hg 25 EST
Henry's Law Constant 7.09E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.52E-11 cm3/molecule-sec 25 EST

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