(Z)-N-Methyl-N'-{2-[({2-[(Methylamino)Methyl]-1,3-Thiazol-4-Yl}Methyl)Sulfanyl]Ethyl}-2-Nitro-1,1-Ethenediamine

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Properties Simple | Detailed

Formula C11H22N5O2S2
IUPAC Name n1-methyl-n1'-[2-[[2-(methylaminomethyl)-5h-thiazol-3-ium-5-id-4-yl]methylsulfanyl]ethyl]-2-nitro-ethane-1,1-diamine
Molecular Mass 320.455 g·mol−1
Heat of Formation 142.6 ± 16.7 kJ·mol−1
Dipole Moment 8.50 ± 1.08 D
Volume 373.65 Å 3
Surface Area 346.45 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-n'-methyl-n-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[2-(methylaminomethyl)-4-thiazolyl]methylthio]ethyl]-2-nitroethene-1,1-diamine
  • (z)-n'-methyl-n-[2-[[2-(methylaminomethyl)thiazol-4-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine
  • 1,1-ethenediamine, n-methyl-n'-(2-(((2-((methylamino)methyl)-4-thiazolyl)methyl)thio)ethyl)-2-nitro-
  • 2-[[2-(methylaminomethyl)thiazol-4-yl]methylthio]ethyl-[(z)-1-methylamino-2-nitro-vinyl]amine
  • n-2-mdmn
  • n-2-monodesmethylnizatidine
  • n-desmethylnizatidine
CAS Number(s)
  • 82586-78-5
InChIKey QDLSRAPBCBFIQC-POHAHGRESA-N
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