L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride
• CAS No.: 81786-40-5
• Molecular Formula: C17H25ClN2O5
• Molecular Weight: 372.8438
• DSSTox Substance ID: DTXSID70231364

Synonyms:5-(N-(4-Phenylbutyl)-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl [German];L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride;81786-40-5;5-(N-(4-Phenylbutyl)-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl;DTXSID70231364;LS-77628

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride

Chemical Property:

• Vapor Pressure: 3.09E-09mmHg at 25°C
• Boiling Point: 476.3°Cat760mmHg
• Flash Point: 241.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 372.1451996
• Heavy Atom Count: 25
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCCC1=CC=CC=C1)C2COC3C2OCC3O[N+](=O)[O-].Cl
• Isomeric SMILES: CN(CCCCC1=CC=CC=C1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl

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