2-{(Z)-[(Cyanoamino)(3-Pyridinyl)Methylene]Amino}Ethyl Acetate

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Properties Simple | Detailed

Formula C11H12N4O2
IUPAC Name 2-[(z)-[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl acetate
Molecular Mass 232.239 g·mol−1
Heat of Formation -11.6 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 279.48 Å 3
Surface Area 271.81 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl acetate
  • 2-[[(cyanoamino)-pyridin-3-yl-methylidene]amino]ethyl ethanoate
  • 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate
  • 3-pyridinecarboximidamide, n-(2-(acetyloxy)ethyl)-n'-cyano-
  • acetic acid 2-[[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl ester
  • ki 4032
  • ki4032
CAS Number(s)
  • 138772-59-5
InChIKey UOZPWULILFRTCF-UHFFFAOYSA-N
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