(E)-N-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}-2-Nitro-N'-(2-Propyn-1-Yl)-1,1-Ethenediamine

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Properties Simple | Detailed

Formula C15H22N4O3S
IUPAC Name (e)-n1-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-2-nitro-n1'-prop-2-ynyl-ethene-1,1-diamine
Molecular Mass 338.425 g·mol−1
Heat of Formation 191.9 ± 16.7 kJ·mol−1
Dipole Moment 9.38 ± 1.08 D
Volume 416.64 Å 3
Surface Area 371.09 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-nitro-n'-prop-2-ynyl-ethene-1,1-diamine
  • (e)-n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2-nitro-n'-prop-2-ynylethene-1,1-diamine
  • (e)-n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-n'-prop-2-ynyl-ethene-1,1-diamine
  • (e)-n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitro-n'-prop-2-ynylethene-1,1-diamine
  • 1,1-ethenediamine, n-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-n'-2-propynyl-
  • 1-nitro-2-(2-propynylamino)-2-(2-((dimethylaminomethyl-2-furanyl)methylthiol)ethylamino)ethylene
  • dimethyl-[[5-[[2-[[(e)-2-nitro-1-(propargylamino)vinyl]amino]ethylthio]methyl]-2-furyl]methyl]amine
  • orf 17578
  • orf-17578
CAS Number(s)
  • 75438-42-5
InChIKey SMOHSULBMKXDEN-RVDMUPIBSA-N
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