1-[(3,3-Diphenylpropyl)(Methyl)Amino]-2-Methyl-2-Propanyl Methyl (4S)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C36H41N3O6
IUPAC Name nitronium (4s)-4-isopropyl-5-[2-[(3-isopropyl-4-methyl-pentyl)-methyl-amino]-1,1-dimethyl-ethoxy]carbonyl-2,6-dimethyl-4,5-dihydro-3h-pyridin-1-ium-3-carboxylate
Molecular Mass 611.727 g·mol−1
Heat of Formation -543.6 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 749.75 Å 3
Surface Area 557.69 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[2-[3,3-di(phenyl)propyl-methyl-amino]-1,1-dimethyl-ethyl] o5-methyl ester
  • (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[2-[3,3-di(phenyl)propyl-methylamino]-1,1-dimethylethyl] o5-methyl ester
  • o3-[1-[3,3-di(phenyl)propyl-methyl-amino]-2-methyl-propan-2-yl] o5-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • o3-[1-[3,3-di(phenyl)propyl-methylamino]-2-methylpropan-2-yl] o5-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • o3-[2-[3,3-di(phenyl)propyl-methyl-amino]-1,1-dimethyl-ethyl] o5-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey ZDXUKAKRHYTAKV-XIFFEERXSA-N
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