(2S)-5-(Hexylmethylamino)-2-Isopropyl-2-(3,4,5-Trimethoxyphenyl)Valeronitrile

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Properties Simple | Detailed

Formula C24H40N2O3
IUPAC Name (2s)-5-[hexyl(methyl)amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Molecular Mass 404.586 g·mol−1
Heat of Formation -509.4 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 557.45 Å 3
Surface Area 403.84 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-(hexyl-methyl-amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • (2s)-5-(hexyl-methyl-amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile
  • (2s)-5-(hexyl-methyl-amino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • (2s)-5-(hexyl-methylamino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • (2s)-5-(hexyl-methylamino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  • nexopamil
CAS Number(s)
  • 136033-49-3
InChIKey SKDZEFVVFACNLS-DEOSSOPVSA-N
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