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

Base Information

• Chemical Name: 1,4:3,6-Dianhydro-2-deoxy-2-(1-piperidinyl)-L-iditol 5-nitrate monohydrochloride
• CAS No.: 81786-33-6
• Molecular Formula: C11H18 N2 O5 . Cl H
• Molecular Weight: 294.733
• DSSTox Substance ID: DTXSID501002210
• Mol file: 81786-33-6.mol

Synonyms:1,4:3,6-Dianhydro-2-deoxy-2-(1-piperidinyl)-L-iditol 5-nitrate monohydrochloride;81786-33-6;5-Piperidino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German];L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(1-piperidinyl)-, 5-nitrate, monohydrochloride;5-Piperidino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid;C11H18N2O5.ClH;DTXSID501002210;C11-H18-N2-O5.Cl-H;LS-77646;1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-piperidin-1-ylhexitol--hydrogen chloride (1/1)

Chemical Property of 1,4:3,6-Dianhydro-2-deoxy-2-(1-piperidinyl)-L-iditol 5-nitrate monohydrochloride

Chemical Property:

• Vapor Pressure: 1.5E-05mmHg at 25°C
• Boiling Point: 366.1°C at 760 mmHg
• Flash Point: 175.2°C
• PSA: 76.75000
• LogP: 1.47850
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 294.0982494
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

L-IDITOL, 1,4:3,6-DIANHYDRO-2-DEOXY-2-(1-PIPERIDINYL)-, 5-NITRATE, MON OHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2COC3C2OCC3O[N+](=O)[O-].Cl
• Isomeric SMILES: C1CCN(CC1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl