N-[(9-Cyano-10-Methyl-9,10-Dihydro-9-Acridinyl)Carbonyl]-β-Alanine

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Properties Simple | Detailed

Formula C19H17N3O3
IUPAC Name 3-[(9-cyano-10-methyl-acridine-9-carbonyl)amino]propanoic acid
Molecular Mass 335.357 g·mol−1
Heat of Formation -236.8 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 395.37 Å 3
Surface Area 332.93 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(9-cyano-10-methyl-acridin-9-yl)carbonylamino]propanoic acid
  • 3-[(9-cyano-10-methyl-acridine-9-carbonyl)amino]propionic acid
  • 3-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid
  • 3-[[(9-cyano-10-methyl-9-acridinyl)-oxomethyl]amino]propanoic acid
  • 3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid
  • bc1
InChIKey FRBAOMHMZCGBOJ-UHFFFAOYSA-N
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