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N4-Benzylajmalinium chloride

Base Information
  • Chemical Name:N4-Benzylajmalinium chloride
  • CAS No.:168610-89-7
  • Molecular Formula:C27H33 N2 O2 . Cl
  • Molecular Weight:453.0161
  • Hs Code.:
  • Mol file:168610-89-7.mol
N4-Benzylajmalinium chloride

Synonyms:N4-Benzylajmalinium chloride;Ajmalinium, N(sup 4)-benzyl-, chloride;(4-alpha,17R,21-alpha)-17,21-Dihydroxy-4-(phenylmethyl)ajmalanium chloride;Ajmalanium, 17,21-dihydroxy-4-(phenylmethyl)-, chloride, (4-alpha,17R,21-alpha)-;LS-15674

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Chemical Property of N4-Benzylajmalinium chloride
Chemical Property:
  • Boiling Point:°Cat760mmHg 
  • Flash Point:°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:3
  • Exact Mass:452.2230560
  • Heavy Atom Count:32
  • Complexity:739
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC6=CC=CC=C6)C7=CC=CC=C7N4C.[Cl-]
  • Isomeric SMILES:CC[C@@H]1[C@H]([N@+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC7=CC=CC=C7)O.[Cl-]
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