(S)-2-(3-Tert-Butylamino-2-Hydroxypropoxy)-3-Cyanopyridine

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Properties Simple | Detailed

Formula C13H19N3O2
IUPAC Name 2-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]pyridine-3-carbonitrile
Molecular Mass 249.309 g·mol−1
Heat of Formation -205.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 323.35 Å 3
Surface Area 276.17 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-(t-butylamino)-2-hydroxypropoxy)-3-cyanopyridine
  • 2-(3-tert-butylamino-2-hydroxypropoxy)-3-cyanopyridine
  • 2-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]nicotinonitrile
  • 2-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]pyridine-3-carbonitrile
  • 2-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-3-pyridinecarbonitrile
  • 2-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]pyridine-3-carbonitrile
  • 3-pyridinecarbonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (s)-
  • mk 761
InChIKey KVTGTAZVDSYIPY-NSHDSACASA-N
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