[5-(Aminomethyl)-6-(2,2-Dimethylpropyl)-2-Ethyl-4-(4-Methylphenyl)-3-Pyridinyl]Acetic Acid

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Properties Simple | Detailed

Formula C22H30N2O2
IUPAC Name 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(p-tolyl)-3-pyridyl]acetic acid
Molecular Mass 354.486 g·mol−1
Heat of Formation -422.4 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 465.49 Å 3
Surface Area 374.33 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-(aminomethyl)-2-ethyl-4-(4-methylphenyl)-6-neopentyl-3-pyridyl]acetic acid
  • 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)-3-pyridyl]acetic acid
  • 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
  • 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]ethanoic acid
InChIKey HQVOROHHYWZJLD-UHFFFAOYSA-N
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