Dasb

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Properties Simple | Detailed

Formula C16H17N3S
IUPAC Name 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanyl-benzonitrile
Molecular Mass 283.391 g·mol−1
Heat of Formation 317.9 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 356.06 Å 3
Surface Area 302.15 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-4-[2-(dimethylaminomethyl)phenyl]sulfanyl-benzonitrile
  • 3-amino-4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzonitrile
  • 3-amino-4-[[2-(dimethylaminomethyl)phenyl]thio]benzonitrile
InChIKey UVWLEPXXYOYDGR-UHFFFAOYSA-N
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Elements H S C N