4-Amino-5-Chloro-N-[(1S,7As)-Hexahydro-1H-Pyrrolizin-1-Ylmethyl]-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C16H22ClN3O2
IUPAC Name 4-amino-5-chloro-n-[[(1s,4r,8s)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl]-2-methoxy-benzamide
Molecular Mass 323.818 g·mol−1
Heat of Formation -325.5 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 385.36 Å 3
Surface Area 335.16 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-cis)-4-amino-5-chloro-n-((hexahydro-1h-pyrrolizin-1-yl)methyl)-2-methoxybenzamide
  • 4-amino-5-chloro-2-methoxy-n-[[(1s,8s)-pyrrolizidin-1-yl]methyl]benzamide
  • 4-amino-5-chloro-n-((hexahydro-1h-pyrrolizin-1-yl)methyl)-2-methoxybenzamide (1s-cis)-
  • 4-amino-5-chloro-n-((hexahydro-1h-pyrrolizin-1-yl)methyl)-2-methoxybenzamide hydrochloride
  • 4-amino-5-chloro-n-[[(1s,8s)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl]-2-methoxy-benzamide
  • 4-amino-5-chloro-n-[[(1s,8s)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl]-2-methoxybenzamide
  • benzamide, 4-amino-5-chloro-n-((hexahydro-1h-pyrrolizin-1-yl)methyl)-2-methoxy-, (1s-cis)-
  • pdsp2_001604
  • sc 53116
  • sc-53116
CAS Number(s)
  • 141196-99-8
InChIKey GAYSOZKZPOVDSB-HZMBPMFUSA-N
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