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Technology Process of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride

1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride

Base Information
  • Chemical Name:1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
  • CAS No.:81786-57-4
  • Molecular Formula:C16H23ClN2O6
  • Molecular Weight:374.8166
  • Hs Code.:
  • DSSTox Substance ID:DTXSID101002218
1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride

Synonyms:1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride;5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German];L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-, 5-nitrate, monohydrochloride;81786-57-4;5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid;C16H22N2O6.ClH;DTXSID101002218;C16-H22-N2-O6.Cl-H;LS-77638;1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[(4-phenoxybutyl)amino]hexitol--hydrogen chloride (1/1)

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Chemical Property of 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
Chemical Property:
  • Vapor Pressure:5.48E-10mmHg at 25°C 
  • Boiling Point:496.3°C at 760 mmHg 
  • Flash Point:253.9°C 
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:8
  • Exact Mass:374.1244642
  • Heavy Atom Count:25
  • Complexity:399
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MSDS Files:
Useful:
  • Canonical SMILES:C1C(C2C(O1)C(CO2)O[N+](=O)[O-])NCCCCOC3=CC=CC=C3.Cl
  • Isomeric SMILES:C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCCCCOC3=CC=CC=C3.Cl
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