4-(2-(Ethylamino)Ethyl)-2-Methyl-5-((Methylthio)Methyl)-3-Pyridinol

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Properties Simple | Detailed

Formula C12H20N2OS
IUPAC Name 4-[2-(ethylamino)ethyl]-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
Molecular Mass 240.365 g·mol−1
Heat of Formation -148.7 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 311.44 Å 3
Surface Area 288.42 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinol, 4-(2-(ethylamino)ethyl)-2-methyl-5-((methylthio)methyl)-
  • 4-(2-ethylaminoethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
  • 4-(2-ethylaminoethyl)-2-methyl-5-[(methylthio)methyl]-3-pyridinol
  • 4-(2-ethylaminoethyl)-2-methyl-5-[(methylthio)methyl]pyridin-3-ol
  • emd 21657
CAS Number(s)
  • 61711-37-3
InChIKey AIYWGDYVMBTAHH-UHFFFAOYSA-N
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