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

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride
• CAS No.: 81786-30-3
• Molecular Formula: C8H14 N2 O5 . Cl H
• Molecular Weight: 254.669
• DSSTox Substance ID: DTXSID50231362
• Mol file: 81786-30-3.mol

Synonyms:81786-30-3;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(dimethylamino)-, 5-nitrate, monohydrochloride;1,4:3,6-Dianhydro-2-deoxy-2-(dimethylamino)-L-iditol 5-nitrate monohydrochloride;5-Dimethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German];5-Dimethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid;C8H14N2O5.ClH;DTXSID50231362;C8-H14-N2-O5.Cl-H;LS-77609

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

Chemical Property:

• Vapor Pressure: 0.00049mmHg at 25°C
• Boiling Point: 313.6°C at 760 mmHg
• Flash Point: 143.5°C
• PSA: 76.75000
• LogP: 0.61630
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 254.0669493
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

L-IDITOL, 1,4:3,6-DIANHYDRO-2-DEOXY-2-(DIMETHYLAMINO)-, 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: CN(C)C1COC2C1OCC2O[N+](=O)[O-].Cl
• Isomeric SMILES: CN(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-].Cl