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Technology Process of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]

5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]

Base Information
  • Chemical Name:5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]
  • CAS No.:81786-39-2
  • Molecular Formula:C16H22 N2 O5 . Cl H
  • Molecular Weight:0
  • Hs Code.:
  • DSSTox Substance ID:DTXSID301002214
  • Mol file:81786-39-2.mol
5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]

Synonyms:81786-39-2;5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German];L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(3-phenylpropyl)amino)-, 5-nitrate, monohydrochloride;5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl;DTXSID301002214;LS-77630;1,4:3,6-Dianhydro-2-deoxy-2-[methyl(3-phenylpropyl)amino]-5-O-nitrohexitol--hydrogen chloride (1/1)

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Chemical Property of 5-(N-Methyl-N-(3-phenylpropyl)-amino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German]
Chemical Property:
  • Vapor Pressure:1.79E-08mmHg at 25°C 
  • Boiling Point:455.2°C at 760 mmHg 
  • Flash Point:229.1°C 
  • PSA：76.75000 
  • LogP:2.61930 
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:6
  • Exact Mass:358.1295495
  • Heavy Atom Count:24
  • Complexity:396
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN(CCCC1=CC=CC=C1)C2COC3C2OCC3O[N+](=O)[O-].Cl
  • Isomeric SMILES:CN(CCCC1=CC=CC=C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl
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