{[(2R,6S)-2,6-Dimethyl-1-Piperidinyl](Nitroso)Amino}Acetonitrile

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Properties Simple | Detailed

Formula C9H16N4O
IUPAC Name n-(cyanomethyl)-n-[(2r,6s)-2,6-dimethyl-1-piperidyl]nitrous amide
Molecular Mass 196.250 g·mol−1
Heat of Formation 171.5 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 254.0 Å 3
Surface Area 225.03 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • acetonitrile, ((2,6-dimethyl-1-piperidinyl)nitrosoamino)-, cis-
  • c 873786
  • c-873786
  • cis-((2,6-dimethyl-1-piperidinyl)nitrosoamino)acetonitrile
  • n-(cis-2,6-dimethylpiperidino)-n-nitroso-2-aminoacetonitril
  • n-(cyanomethyl)-n-[(2r,6s)-2,6-dimethyl-1-piperidinyl]nitrous amide
  • n-(cyanomethyl)-n-[(2r,6s)-2,6-dimethyl-1-piperidyl]nitrous amide
  • n-(cyanomethyl)-n-[(2r,6s)-2,6-dimethylpiperidin-1-yl]nitrous amide
CAS Number(s)
  • 137476-15-4
InChIKey GGQWMIUIVSUNGT-DTORHVGOSA-N
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