4-[(5-Isopropyl-3,8-Dimethyl-1-Azulenyl)Amino]-4-Oxobutanoic Acid

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Formula C19H23NO3
IUPAC Name 4-[(5-isopropyl-3,8-dimethyl-azulen-1-yl)amino]-4-oxo-butanoic acid
Molecular Mass 313.391 g·mol−1
Heat of Formation -412.8 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 395.33 Å 3
Surface Area 353.94 Å 2
HOMO Energy -7.67 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((3,8-dimethyl-5-(1-methylethyl)-1-azulenyl)amino)-4-oxobutanoic acid
  • 4-[(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)amino]-4-oxo-butanoic acid
  • 4-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)amino]-4-oxobutanoic acid
  • 4-[(5-isopropyl-3,8-dimethyl-azulen-1-yl)amino]-4-keto-butyric acid
  • butanoic acid, 4-((3,8-dimethyl-5-(1-methylethyl)-1-azulenyl)amino)-4-oxo-
  • succinic acid mono-3-guaiazulenamide
CAS Number(s)
  • 69174-75-0
InChIKey KIBVWPFAMGQHER-UHFFFAOYSA-N
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